Month: December 2022

Mueller, Sebastian L. published the artcileSystematic variation of the benzenesulfonamide part of the GluN2A selective NMDA receptor antagonist TCN-201, COA of Formula: C5H5NO3S, the publication is European Journal of Medicinal Chemistry (2017), 124-134, database is CAplus and MEDLINE.

GluN2A subunit containing N-methyl-D-aspartate receptors (NMDARs) are highly involved in various physiol. processes in the central nervous system, but also in some diseases, such as anxiety, depression and schizophrenia. However, the role of GluN2A subunit containing NMDARs in pathol. processes is not exactly elucidated. In order to obtain potent and selective inhibitors of GluN2A subunit containing NMDARs, the selective neg. allosteric modulator 2 was systematically modified at the benzenesulfonamide part. The activity of the test compounds was recorded in two electrode voltage clamp experiments using Xenopus laevis oocytes expressing exclusively NMDARs with GluN1a and GluN2A subunits. It was found that halogen atoms in 3-position of the benzenesulfonamide part result in high GluN2A antagonistic activity. With an IC₅₀ value of 204 nM the 3-bromo derivative 5i (N-{4-[(2-benzoylhydrazino)carbonyl]benzyl}-3-bromobenzenesulfonamide) has 2.5-fold higher antagonistic activity than the lead compound 2 and represents our new lead compound

European Journal of Medicinal Chemistry published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C5H5NO3S, COA of Formula: C5H5NO3S.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Luecking, Ulrich published the artcileIdentification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer, Formula: C6H8BNO3, the publication is ChemMedChem (2017), 12(21), 1776-1793, database is CAplus and MEDLINE.

Selective inhibition of exclusively transcription-regulating PTEFb/CDK9 is a promising new approach in cancer therapy. Starting from lead compound BAY-958, lead optimization efforts strictly focusing on kinase selectivity, physicochem. and DMPK properties finally led to the identification of the orally available clin. candidate atuveciclib (BAY 1143572). Structurally characterized by an unusual benzyl sulfoximine group, BAY 1143572 exhibited the best overall profile in vitro and in vivo, including high efficacy and good tolerability in xenograft models in mice and rats. BAY 1143572 is the first potent and highly selective PTEFb/CDK9 inhibitor to enter clin. trials for the treatment of cancer.

ChemMedChem published new progress about 1008506-24-8. 1008506-24-8 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Ether,Pyridine,Boronic Acids,Boronic acid and ester, name is 3-Methoxypyridine-4-boronic acid, and the molecular formula is C6H8BNO3, Formula: C6H8BNO3.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Essery, J. M. published the artcileDerivatives of 4-amino- and 4-nitropyridine, HPLC of Formula: 102236-19-1, the publication is Journal of the Chemical Society (1960), 4953-9, database is CAplus.

The following were prepared by conventional procedures. A series of substituted pyridine 1-oxides (substituent given): 3-Et (I), hygroscopic oil, b₁₂ 123-5°, picrate, m. 95°; 3-iso-Pr, b_0.8 120-2°, picrate, m. 125-6°; 3-tert-Bu (Ia), b₁ 132-4°, picrate, m. 143-4°; 3,5-Me₂, b_0.1 116-18°, picrate, m. 135-6°; 2,3,5,6-Me₄, needles, m. 139-40°, picrate, m. 144-5°; and 3-Br, -, picrate, m. 144.5-5.5°. I (24.5 g.), 65 ml. concentrated H₂SO₄ and 34 ml. concentrated HNO₃ were warmed to 50° to initiate reaction, then heated 3.5 hrs. at 90-100°, the whole cooled, neutralized with solid K₂CO₃, filtered, the filtrate extracted with CHCl₃ and the CHCl₃ concentrated gave 19 g. 3-ethyl-4-nitropyridine 1-oxide (II), yellow needles, m. 68-9°. In similar fashion were prepared the following substd. 4-nitropyridine 1-oxides: 3-iso-Pr, m. 138-9°; 3,5-Me₂ (IIa), m. 174-5° (picrate m. 137.5-8.5°); 2,3, 5,6-Me₄ (IIb), m. 115-16° (picrate m. 160-1°); 3-Br, m. 156-7° [small amount of 3,4-Br(O₂N)C₅H₃N also formed]. 3-tert-Butyl-2(or 6-)nitropyridine (IIc) m. 104.5-5.5°. To 5 g. II in 100 ml. dry CHCl₃ at 0-10° was added 25 ml. PCl₃, the whole kept 0.67 hr. at 10° poured on ice, treated with excess NaOH, extracted with CHCl₃, and the CHCl₃ extracts concentrated to give 3.8 g. 3,4-Et(O₂N)C₅H₃N, b_0.25 56-8°. Similarly were prepared 3,4-iso-Pr(O₂N)C₅H₃N, b_0.85 82-4° (picrate m. 106-7°); 3,5,4-Me₂(O₂N)C₅H₂N.0.5.H₂O, m. 38-9° (picrate m. 169-70°); and 2,3,5,6,4-Me₄(O₂N)C₅N.2H₂O, m. 198-200° (picrate m. 174-6°). To 13 g. II was added 60 ml. AcCl; a vigorous reaction occurred. Subsequently, the mixture was poured on ice, the whole treated with excess NaOH and the product isolated via CHCl₃ extraction to give 8.2 g. 4-chloro-3-ethylpyridine 1-oxide (IId), m. 86° (picrate m. 137-8°). The following substituted 4-chloropyridine 1-oxides were similarly prepared: 3-iso-Pr, hygroscopic, m. 87-8° (picrate m. 130-1°); 3,5-Me₂ (III), m. 201-2° (picrate m. 142-3°); 2,3,5,6-Me₄, m. 153-4° (picrate m. 154-5°); 3-Br, m. 153.5-4.5° (picrate m. 120-1°). III (2.5 g.) and 18 ml. concentrated aqueous NH₃ heated 18 hrs. at 140°, the whole cooled, treated with 2.5 g. K₂CO₃, evaporated to dryness and the residue extracted with AcEt gave 1.6 g. 4-amino-3,5-dimethylpyridine 1-oxide-2H₂O (IV), m. 227-9°, picrate m. 221-3°. 3,4-Me(O₂N)C₅H₃N (2.5 g.), 50 ml. EtOH, 4 ml. 90% H₂NNH₂.H₂O, and a small amount of Raney Ni (V) were heated 0.5 hr. on the steam bath, more V added, the whole filtered, and the filtrate concentrated to give 1.2 g. 3,4-Me(H₂N)C₅H₃N, m. 108-9°. This procedure also gave 3,4-Et(H₂N)C₅H₃N.0.5.H₂O, m. 52-3° (picrate m. 196-7°); 3,4-iso-Pr(H₂N)C₅H₃N.0.5.H₂O, m. 69-70° (picrate m. 156-7°). To 0.5 g. IV in 5 ml. AcOH was added 0.3 g. Fe dust, the whole heated 1.5 hrs. on the steam bath, cooled, treated with excess NaOH and the product isolated via Et₂O extraction to give 0.2 g. 3,5,4-Me₂(H₂N)C₅H₂N.2H₂O (VI), m. 83-4° (picrate m. 226-7°). Alternately, 2 g. IIa, 25 ml. MeOH, 2 g. Raney Ni, and H gave 1.1 g. VI; the same procedure with IIb gave the amino derivative hemihydrate m. 196-7° (picrate m. 225-6°). Both reduction procedures with IIc gave the amino derivatives, m. 128-9°, λ 292, 228 mμ (log ε 3.56, 4.9) (picrate m. 242°). IId (3 g.) and 18 ml. 30% aqueous MeNH₂ heated 18 hrs. at 140° gave, as above with IV, 2.1 g. 3-methyl-4-methylaminopyridine 1-oxide (VII), m. 106-7° (picrate m. 184-5°). Similarly were prepared the following substituted 4-methylaminopyridine 1-oxides: 3-Et, b_0.5 120-2°, m. 117-18° (picrate m. 182-3°); 3-iso-Pr (VIII) (no m.p. given) (picrate m. 164-5°); 3,5-Me₂, m. 94.5-5.5° (picrate m. 172-3°); 3-Br, hygroscopic solid (picrate m. 189-91°) and 2,3,5,6-Me₄, hygroscopic solid (picrate m. 140-1°). VII reduced by Fe in AcOH gave 3,4-Me(MeNH)C₅H₃N, m. 125-6° (picrate m. 199-200°). VIII hydrogenated as above gave 3,3-iso-Pr-(MeNH)C₅H₃N, m. 95-6° (picrate m. 159-60°) and this procedure gave the following 3-substituted 4-(MeNH)C₅H₃N derivatives): 3,5-Me₂, m. 119.5-20.5° (picrate m. 194.5-5.5°); 2,3,5,6-Me₄, m. 118-19° (picrate m. 160-1°); 3-Br, 92-3°. The following were prepared by the above procedures: 3,4-Me(Me₂N)C₅H₃N (IX), b₁ 73-5° (picrate m. 172-3°) and IX 1-oxide, b_0.15 142-4° (picrate m. 130-1°); 3,4-Et(Me₂N)C₅H₃N (X), b_0.6 82-3° (picrate m. 118-19°) and X 1-oxide, b₁ 178-80° (picrate m. 139-40°); 3,4-iso-Pr-(Me₂N)C₅H₃N (XI), b_0.45 79-80° (picrate m. 138-9°) and XI 1-oxide, – (picrate m. 151-2°); 3,5,4-Me₂(Me₂N)C₅H₂N (XII), b_0.4 69-7° (picrate m. 172-3°) and XII 1-oxide m. 83-4° (picrate m. 115-16°); and 3,4-Br(Me₂N)C₅H₃N (XIII), b_0.5 82-4° (picrate m. 182-3°) and XIII 1-oxide, – (picrate m. 160-1°). Ia (3.5 g.) and SO₂Cl₂ heated 2 hrs. at 110-20° gave 2 products, C₉H₁₂ClN, giving picrates, m. 152-3° and 149-50°.

Journal of the Chemical Society published new progress about 102236-19-1. 102236-19-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Chloride, name is 5-(tert-Butyl)-2-chloropyridine, and the molecular formula is C9H12ClN, HPLC of Formula: 102236-19-1.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Urban, R. published the artcileAminomethoxypyridines and corresponding sulfanilamides, Application of 4-Amino-2-picoline, the publication is Helvetica Chimica Acta (1964), 47(2), 363-79, database is CAplus.

A number of 2-, 3-, and 4-sulfanilamidopyridines containing substituents in the pyridine ring, particularly all still unknown monomethoxy derivatives, were prepared for pharmacol. evaluation. To 10 g. Na in 185 mL. absolute MeOH was added 20 g. 2-amino-4-chloropyridine and a little Cu powder, the whole heated 12 h. at 150° in a sealed tube, cooled, diluted with H₂O, filtered, and evaporated, the residue dissolved in H₂O, and the product extracted with Et₂O to give 10.6 g. 2-amino-4-methoxypyridine, m. 115-16° (C₆H₆). 2-Chloro-4-nitropyridine (16 g.), 32 g. Fe powder, and 500 mL. AcOH heated gradually with stirring until the reaction became brisk, when the reaction subsided the mixture heated 1 h. at 100°, cooled, and worked up gave 10.4 g. 4-amino-2-chloropyridine (I), m. 87-9° (C₆H₆-petr. ether). To 5.0 g. Na in 90 mL. absolute MeOH was added 10 g. I and a little Cu powder and the mixture heated 10 h. at 150° in a sealed tube, and worked up to give 5.4 g. 4-amino-2-methoxypyridine, m. 88-9° (C₆H₆-petr. ether, sublimation at 60°/0.1 mm.); Ac derivative m. 96-7° (C₆H₆). 5-Hydroxy-2-phenylazopyridine (II) in 400 mL. tert-BuOH added dropwise during 4 h. to 11 g. CH₂N₂ in 1.7 l. Et₂O at – 15 to -10° with stirring, the solution allowed to reach room temperature and evaporated, the residue dissolved in C₆H₆, the solution worked up, and the partially crystalline product chromatographed on Al₂O₃ (activity II) with C₆H₆ gave 14.8 g. 5-MeO analog (III) of II, m. 72-3° (petr. ether). III (10 g.) in 220 mL. MeOH and 55 mL. 3N HCl hydrogenated over 10 g. 10% Pd-C (the calculated amount H was absorbed in 8 h.) and the solution filtered, concentrated, and worked up gave 4.1 g. 2-amino-5-methoxypyridine, b₁₀ 128-30°, m. 36-8°; Ac derivative (IV) m. 102-3° (C₆H₆-petr. ether); HCl salt m. 145-6° (MeOH-Et₂O). Ac₂O (2.9 mL.) added dropwise to 2.5 g. 2-amino-3-methoxypyridine (V) in 5.0 mL. anhydrous C₅H₅N at below 0° with stirring and worked up gave 2.9 g. Ac derivative of V, m. 102-3° (C₆H₆-petr. ether, C₆H₆ or EtOAc), mixed m.p. (with IV) 70°. 5-Bromonicotinic acid NH₄ salt (270 g.) in 2 1. 25% aqueous NH₃ heated 10 h. at 180° with 100 g. CuO in an autoclave, the filtered solution concentrated and treated with aqueous Cu(OAc)₂, the precipitated Cu salt filtered and dissolved in dilute HCl, the solution treated with H₂S, filtered, and evaporated, the residue dissolved in dilute aqueous NaOH, and the solution neutralized with dilute HCl gave 104 g. 5-aminonicotinic acid (VI), m. 295-6° (decomposition) (H₂O). VI (20 g.) suspended in 400 mL. absolute MeOH saturated with HCl with ice-cooling, and the resulting solution refluxed 0.5 h. while continuously introducing HCl and cooled gave (in 2 crops) 23.8 g. Me 5-hydroxynicotinate-HCl (VII.-HCl), m. 194-6° (decomposition); 73% VII m. 192-3° (H₂O). VII (8.0 g.) in 200 mL. tert-BuOH added dropwise during 6 h. to 3.5 g. CH₂N₂ in 350 mL. Et₂O at – 15 to – 10° with stirring, the solution stirred several hrs. with cooling, allowed to reach room temperature, filtered, and concentrated, the residue dissolved in alc.-HCl, and the solution evaporated gave, after crystallization from MeOH-Et₂O, 9.5 g. Me 5-methoxynicotinate-HCl (VIII.HCl), which in aqueous solution passed through a column of Amberlite IR-45 and the effluent evaporated gave 5.0 g. VIII, m. 61-2° (sublimation at 40°/0.1 mm.), saponification giving 5-methoxynicotinic acid (IX), m. 228-9°. VIII (8.0 g.), 18 mL. 100% N₂H₄.H₂O, and 25 mL. MeOH refluxed 6 h. and cooled gave 6.8 g. hydrazide (X) of IX, m. 157-8° (MeOH). X (19.4 g.) in 125 mL. N HCl treated dropwise with 12 g. KNO₂ in 40 mL. H₂O at 5° with stirring and ice-cooling, the precipitated azide filtered off, washed with a little H₂O, dried over P₂O₅, and refluxed 1 h. in 200 mL. absolute EtOH, and the solution evaporated gave 20.8 g. 5-methoxy-3-pyridinecarbamic acid Me ester, m. 139-41°, which refluxed with 40 g. Ba(OH)₂ in 400 mL. H₂O, the solution cooled, saturated with CO₂, filtered, and worked up gave 8.0 g. 3-amino-5-methoxypyridine, b₁₅ 166-8°, m. 64-5° (C₆H₆); Ac derivative m. 133-4° (C₆H₆, EtOAc); HCl salt m. 205-7° (decomposition). Nicotinic acid-HCl (280 g.) and 500 mL. SOCl₂ refluxed 6 days and then heated 12 h. at 180° in an autoclave, the mixture added to H₂O, heated to boiling, and filtered hot, the filtrate cooled, and the precipitate recrystallized from H₂O with C gave 130 g. mixture of 5-chloro- (XI) and 5,6-dichloronicotinic acid, which refluxed 4 h. with 52 g. red P and 130 g. KI in 800 mL. 57% HI, the solution cooled, diluted with H₂O, filtered, concentrated to small volume, and treated with an appropriate amount aqueous Na₂CO₃ gave 78 g. XI, m. 167-8° (H₂O); Me ester m. 87-8°; hydrazide (XII) m. 176-8°. XII (20 g.) dissolved in 120 mL. N HCl by heating, the solution cooled in ice, treated dropwise with 12 g. KNO₂ in 40 mL. H₂O at 5° with stirring, the precipitated azide filtered off, washed with H₂O, heated 0.5 h. on a water bath in 220 mL. 50% AcOH, cooled, made alk. with aqueous NaOH, and cooled, and the product isolated with Et₂O gave 6.0 g. 3-amino-5-chloropyridine, m. 78-9° (sublimation at 60°/0.1 mm., C₆H₆-petr. ether). The above azide dried over P₂O₅ and refluxed 1 h. with 10 volumes absolute EtOH gave 5-chloro-3-pyridinecarbamic acid Et ester, m. 149-51° (MeOH, sublimation at 70°/0.1 mm.). Na (5 g.) in 60 mL. MeOH and 16.2 g. 4,6-dichloro-2-picoline heated 12 h. at 130-40° in a sealed tube, cooled, and diluted with Et₂O, and the solution filtered and fractionated gave 11.8 g. 4,6-dimethoxy-2-picoline (XIII), b₁₇ 87-8°, n²³_D 1.5076, m. 19-20°. XIII (11.7 g.) in 350 mL. H₂O heated on a water bath, 13 g. finely powd. KMnO₄ added with stirring, when the violet color disappeared 12.5 g. KMnO₄ and 70 mh H₂O added, the mixture heated 2.5 h., cooled a little, the MnO₂ filtered off and washed with hot H₂O, the combined cooled filtrates extracted with Et₂O (6 g. XIII recovered), acidified with HCl, and evaporated, the residue (XIV) extracted (Soxhlet) exhaustively with C₆H₆, and the extract evaporated gave 1.2 g. 4,6-dimethoxypicolinic acid (XV), m. 145-7° (C₆H₆, sublimation at 90°/0.1 mm.). It was preferable not to isolate XV, but to convert XIV directly into the Me ester (XVI) of XV (20% yield). XV (1.2 g.) in 40 mL. absolute MeOH saturated with HCl with ice-cooling, the solution evaporated, the residue extracted with Et₂O, and the extract worked up gave 1.1 g. XVI, m. 108-9° (C₆H₆, sublimation at 60°/0.1 mm.). Na (3.3 g.) in 50 mL. absolute MeOH refluxed 8 h. with 10.0 g. Me 4,6-dichloropicolinate and a little Cu powder, the filtered solution evaporated, and the residue extracted with Et₂O gave 4.8 g. XVI, m. 106-8°. XVI (18 g.) in 100 mL. MeOH treated with 33 mL. 100% N₂H₄.H₂O gave 17 g. hydrazide (XVII) of XV, m. 156-7° (MeOH). H₂O (35 mL.) containing 8.0 g.

Helvetica Chimica Acta published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C15H20O6, Application of 4-Amino-2-picoline.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Ceccarelli, Simona M. published the artcileMetabolite identification via LC-SPE-NMR-MS of the in vitro biooxidation products of a lead mGlu5 allosteric antagonist and impact on the improvement of metabolic stability in the series, Name: 4-Amino-2-picoline, the publication is ChemMedChem (2008), 3(1), 136-144, database is CAplus and MEDLINE.

Detailed information on the metabolic fate of lead compounds can be a powerful tool for an informed approach to the stabilization of metabolically labile compounds in the lead optimization phase. The combination of high performance liquid chromatog. (HPLC) with NMR spectroscopy and mass spectrometry (MS) has been used to give comprehensive structural data on metabolites of novel drugs in development. Recently, increased automation and the embedding of online solid-phase extraction (SPE) into a integrated LC-SPE-NMR-MS system have improved enormously the detection limits of this approach. The new technol. platform allows the anal. of complex mixtures from microsome incubations, combining low material requirements with relatively high throughput. Such characteristics make it possible to thoroughly characterize metabolites of selected compounds at earlier phases along the path to lead identification and clin. candidate selection, thus providing outstanding guidance in the process of eliminating undesired metabolism and detecting active or potentially toxic metabolites. Such an approach was applied at the lead identification stage of a backup program on metabotropic glutamate receptor 5 (mGlu5) allosteric inhibition. The major metabolites of a lead (I) were synthesized and screened, revealing significant in vitro activity and possible involvement in the overall pharmacodynamic behavior of I. The information collected on the metabolism of the highly active compound I was pivotal to the synthesis of related compounds with improved microsomal stability.

ChemMedChem published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C6H8N2, Name: 4-Amino-2-picoline.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Bobbio, Carla published the artcileSelective Functionalization of 2-Fluoropyridine, 2,3-Difluoropyridine, and 2,5-Difluoropyridine at Each Vacant Position, Computed Properties of 851386-45-3, the publication is Journal of Organic Chemistry (2005), 70(8), 3039-3045, database is CAplus and MEDLINE.

The concept of “regioexhaustive substitution” has been successfully applied to 2-fluoro-, 2,3-difluoro-, and 2,5-difluoropyridine. All vacant positions were amenable to regioselective metalation and subsequent carboxylation by employing either chlorine as a neighboring site activating protective group or trimethylsilyl as a neighboring site screening protective group. In this way, approx. half a dozen fluorinated pyridinecarboxylic acids were derived from each starting material.

Journal of Organic Chemistry published new progress about 851386-45-3. 851386-45-3 belongs to pyridine-derivatives, auxiliary class Pyridine,Fluoride,Carboxylic acid, name is 3,6-Difluoropicolinic acid, and the molecular formula is C6H3F2NO2, Computed Properties of 851386-45-3.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Biedermann, Frank published the artcileCucurbit[8]uril Mediated Donor-Acceptor Ternary Complexes: A Model System for Studying Charge-Transfer Interactions, Name: 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, the publication is Journal of Physical Chemistry B (2012), 116(9), 2842-2849, database is CAplus and MEDLINE.

A supramol. self-assembly approach is described which allows for the convenient preparation of a wide range of charge-transfer (CT) donor-acceptor complexes in aqueous solutions When one equiv of the macrocyclic host cucurbit[8]uril (CB[8]) is added to an aqueous donor and acceptor solution, a heteroternary complex forms inside the host’s cavity with a well-defined face-to-face π-π-stacking geometry of the donor and acceptor. This heteroternary, CB[8]-mediated complex offers the opportunity to study the CT phenomena at low concentrations and free from complications arising from any donor-donor and acceptor-acceptor interactions as a result of the large binding affinities and the very high selectivity over the formation of these homoternary complexes. Thus, this supramolocular self-assembly strategy is a practical donor-acceptor mix-and-match approach with synthetic advantages over much more cumbersome tethering schemes. While the characteristic UV/vis features of a few CB[8] ternary systems had been described as a CT band, we present for the first time systematic evidence for the existence of CT interactions between several donor-acceptor pairs that are mediated by the host CB[8]. Correlation of the exptl. obtained CT λ_max to computed HOMO-LUMO energies demonstrated that the CT process in the host’s cavity can be described by the Mulliken model. Furthermore, the literature claim of a “CT driving force” for the formation of CB[8] ternary complexes was scrutinized and evaluated by calorimetric (ITC) and ESI-MS measurements. The findings indicated that neither in the aqueous medium nor in the “gas-phase” is CT of energetic relevance to the Gibbs free binding energy. In contrast, electrostatic considerations combined with solvation effects are much better suited to rationalize the observed trends in binding affinities. Addnl., the CT λ_max was found to be much more red-shifted (â‰?5 nm) inside the CB[8] cavity than in any polar organic solvents or water, indicating a significant stabilization of the CT excited state within the host cavity, further demonstrating the unique electrostatic, polar properties of the host cavity.

Journal of Physical Chemistry B published new progress about 47369-00-6. 47369-00-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Salt,Benzene,Organic ligands for MOF materials,Nitrogen containing MOF ligands,Nitrogen containing MOF ligands, name is 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, and the molecular formula is C22H18Cl2N2, Name: 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Seydel, Joachim Karl published the artcileDevelopment of effective drug combinations for the inhibition of multiply resistant mycobacteria, especially of the Mycobacterium avium complex, Computed Properties of 2215-33-0, the publication is Chemotherapy (Basel, Switzerland) (1992), 38(3), 159-68, database is CAplus and MEDLINE.

Rationally designed combinations of rifampicin (RAMP) and thiacetazone plus isonicotinic acid hydrazide and/or ethambutol are highly effective in the treatment of patients (including HIV-pos.) infected with multiply resistant mycobacteria of the M. avium complex (MAC). Clin. results are very promising. The high efficacy of these combinations is due to the synergistic potentiation of single-drug activities. As soon as rifabutin is marketed, it should replace RAMP in the combination treatment of patients with highly RAMP-resistant MAC bacteria.

Chemotherapy (Basel, Switzerland) published new progress about 2215-33-0. 2215-33-0 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine, and the molecular formula is 0, Computed Properties of 2215-33-0.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Sharma, G. D. published the artcileCharge conduction process and photovoltaic effect in ITO/ArV/CHR/In p-n junction device, Application of 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, the publication is Synthetic Metals (2001), 124(2-3), 399-405, database is CAplus.

The present communication deals with the designing of a new p-n junction device made with 4,4′-aryl bipyridine, also known as aryl viologen (ArV), a p-type organic semiconductor and 3-diazophenyl, 4,5 dihydroxynaphthalene, 2,7 disulfonic acid, disodium salt, commonly known as chromotrope 2R (CHR), a n-type organic semiconductor. The elec. and photoelec. properties of the fabricated p-n junction having configuration ITO/ArV/CHR/In was studied by analyzing its current-voltage (J-V) characteristics, capacitance-voltage (C-V) characteristics in the dark and photoaction spectra. The anal. of dark current-voltage (J-V) characteristics at room temperature was presented to elucidate the conduction mechanisms and to evaluate the device parameters. The charge transport conduction mechanism in forward biased condition in the low voltage region is described by the modified Shockley effect. For biases >1.0 V, the dark current is a space charge limited current (SCLC) in the presence of exponentially distributed traps. The variation of 1/C² with voltage also shows the straight line at low frequency indicating the formation of p-n junction between ArV and CHR and the potential barrier height is âˆ?.18 eV at room temperature which decreases with the increase in temperature The comparison of photoaction spectra with absorption spectra of the ArV-CHR layer reveals that photocurrent in this device is due to the generation of excitons both in ArV and CHR. The excitons generated in ArV dissociated by electron transfer to CHR and those created in CHR are ionized by hole transfer to the ArV. This charge transfer may be driven by the offset between the electron affinities and ionization potentials of two semiconductors.

Synthetic Metals published new progress about 47369-00-6. 47369-00-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Salt,Benzene,Organic ligands for MOF materials,Nitrogen containing MOF ligands,Nitrogen containing MOF ligands, name is 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, and the molecular formula is C3H3Br2ClO, Application of 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Sharma, G. D. published the artcileStudies on electrical and photoelectrical behavior of ITO/ArV/In Schottky barrier device, Quality Control of 47369-00-6, the publication is Synthetic Metals (1999), 106(2), 97-105, database is CAplus.

The elec. and photoelec. properties of aryl viologen (ArV), chem. known as 1,1′-diphenyl-4,4′-bipyridinium dichloride, in the form of thin film, sandwiched between ITO and In electrode were studied. Current-voltage (J-V) characteristics in the dark show the rectification effect due to the formation of a Schottky barrier at the In-ArV interface. The diode quality factor of the device, greater than unity, indicates the recombination of electron-hole in depletion region. Ohmic conduction in the low-voltage range and space-charge-limited conduction (SCLC) controlled by an exponential distribution of traps above the valence band edge, for the higher voltage region, have been observed Various elec. parameters were calculated from an anal. of the J-V and capacitance-voltage characteristics at different temperatures, and are discussed in detail. At higher frequencies, the device exhibits voltage-independent capacitance, which is explained in terms of the extremely slow kinetics of space charge and low mobility of charge carriers. The photoaction spectra of the device and absorption spectra of the ArV thin film reveal that the fraction of light, which is absorbed near or within the diffusion length of the exciton, is responsible for producing the free charge carriers. The photovoltaic parameters were calculated from the J-V characteristics under illumination through ITO and discussed in detail.

Synthetic Metals published new progress about 47369-00-6. 47369-00-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Salt,Benzene,Organic ligands for MOF materials,Nitrogen containing MOF ligands,Nitrogen containing MOF ligands, name is 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, and the molecular formula is C11H14O2, Quality Control of 47369-00-6.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem