Month: December 2022

Hansen, Christopher J. published the artcileEffects of Solvents, Emulsions, Cosolvents, and Complexions on Ex Vivo Mouse Myometrial Contractility, SDS of cas: 21829-25-4, the publication is Reproductive Sciences (2022), 29(2), 586-595, database is CAplus and MEDLINE.

A great need exists to develop tocolytic and uterotonic drugs that combat poor, labor-related maternal and fetal outcomes. A widely utilized method to assess novel compounds for their tocolytic and uterotonic efficacy is the isometric organ bath contractility assay. Unfortunately, water-insoluble compounds can be difficult to test using the physiol., buffer-based, organ bath assay. Common methods for overcoming solubility issues include solvent variation, cosolvency, surfactant or complexion use, and emulsification. However, these options for drug delivery or formulation can impact tissue function. Therefore, the goal of this study was to evaluate the ability of common solvents, surfactants, cosolvents, and emulsions to adequately solubilize compounds in the organ bath assay without affecting mouse myometrial contractility. We found that acetone, acetonitrile, and ethanol had the least effect, while dimethylacetamide, Et acetate, and isopropanol displayed the greatest inhibition of myometrial contractility based on area under the contractile curve analyses. The min. concentration of surfactants, cosolvents, and human serum albumin required to solubilize nifedipine, a current tocolytic drug, resulted in extensive bubbling in the organ bath assay, precluding their use. Finally, we report that an oil-in-water base emulsion containing no drug has no statistical effect beyond the control (water), while the drug emulsion yielded the same potency and efficacy as the freely solubilized drug.

Reproductive Sciences published new progress about 21829-25-4. 21829-25-4 belongs to pyridine-derivatives, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C17H18N2O6, SDS of cas: 21829-25-4.

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

Cumper, Charles W. N. published the artcileElectric dipole moments of toluidines and some aminopicolines in benzene and 1,4-dioxane solution, Formula: C6H8N2, the publication is Journal of the Chemical Society [Section] B: Physical Organic (1967), 1100-3, database is CAplus.

The elec. dipole moments of the three toluidines and seven aminopicolines were calculated from measurements of the dielec. constants, sp. volumes, and refractive indexes of their solutions in benzene and in 1,4-dioxane at 25.00°. In o-toluidine, 4-amino-3-methylpyridine, and 2-amino-3-methylpyridine there is an interaction between the adjacent substituents but this is somewhat less in 3-amino-4-methylpyridine. Mesomeric moments are present in 2- and 4-aminopyridines and in the former direct interaction occurs between the amino-group and heterocyclic N atom.

Journal of the Chemical Society [Section] B: Physical Organic 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, Formula: C6H8N2.

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

Cumper, C. W. N. published the artcileThe ultraviolet spectra of aniline, 2-, 3-, and 4-aminopyridines, and of some of their derivatives in n-hexane, 1,4-dioxane, ethanol, and water solutions, Category: pyridine-derivatives, the publication is Journal of the Chemical Society [Section] B: Physical Organic (1968), 649-51, database is CAplus.

The uv spectra of aniline, 2-, 3-, and 4-aminopyridines, and certain of their derivatives have been determined in hexane, 1,4-dioxane, EtOH, and water solutions N-Methylation of the amino group increases its electron-donating ability and the introduction of a Me group or halogen atom into the Ph or pyridyl ring also produces a bathochromic shift. In dioxane and EtOH solutions the amine forms H bonds to the solvent; this also occurs with 4-aminopyridines in water; with the other solutes H bonding by the water predominates.

Journal of the Chemical Society [Section] B: Physical Organic 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, Category: pyridine-derivatives.

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

Laha, Joydev K. published the artcileSynthesis of unsymmetrical urea from aryl- or pyridyl carboxamides and aminopyridines using PhI(OAc)₂via in situ formation of aryl- or pyridyl isocyanates, Name: 2-Bromopyridin-3-amine, the publication is New Journal of Chemistry (2021), 45(40), 18815-18823, database is CAplus.

A tandem synthesis of unsym. ureas (N-aryl-N’-pyridylurea and N,N’-bipyridylurea) from aryl- or pyridyl carboxamides and aminopyridines via Hofmann rearrangement has been reported. In particular, benzamides, picolinamide, nicotinamide, and isonicotinamide generate reactive intermediate isocyanates, in situ, in the presence of PhI(OAc)₂, which upon further reaction with aminopyridines form urea derivatives As the formation of pyridylisocyanates from their corresponding carboxamides via Hofmann rearrangement remained unexplored previously, attempts have been made to trap the isocyanates. While the three pyridylisocyanates were trapped as their corresponding carbamates, 3-pyridylisocyanate was isolated and characterized. Unlike closely related previous methods reported for urea synthesis, the current method avoids direct use of isocyanates or eliminates the use of toxic phosgene for the in situ generation of isocyanates.

New Journal of Chemistry published new progress about 39856-58-1. 39856-58-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Bromide,Amine, name is 2-Bromopyridin-3-amine, and the molecular formula is C5H5BrN2, Name: 2-Bromopyridin-3-amine.

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

March, J. G. published the artcileFluorimetric determination of phytic acid based on the activation of the oxidation of 2,2′-dipyridyl ketone hydrazone catalyzed by Cu(II), Product Details of C11H10N4, the publication is Analyst (Cambridge, United Kingdom) (1999), 124(6), 897-900, database is CAplus and MEDLINE.

Phytic acid exerts an activation effect on the oxidation of 2,2′-dipyridyl ketone hydrazone catalyzed by Cu(II) ion and the oxidation product is highly fluorescent. A fixed time method for the fluorometric determination of phytic acid based on this effect is described. The calibration graph is linear over the range 0.05-0.6 mg L^-1 phytic acid, resulting in a limit of detection of 0.03 mg L^-1 phytic acid. The relative standard deviation is in the range 1.4-1.8%, depending on the sample analyzed. The method was successfully applied to the determination of phytic acid in human urine (20 samples) and food samples (nine different products). The results obtained for urine samples ranged from 0.31 to 3.6 mg L^-1 phytic acid and for food samples from 3.8 to 22 mg g^-1 phytic acid. This is the 1st procedure to be reported for the determination of phytic acid based on fluorometric measurements.

Analyst (Cambridge, United Kingdom) 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 C11H10N4, Product Details of C11H10N4.

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

McCammant, Matthew S. published the artcileDevelopment and investigation of a site selective palladium-catalyzed 1,4-difunctionalization of isoprene using pyridine-oxazoline ligands, Safety of (1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl)boronic acid, the publication is Chemical Science (2015), 6(2), 1355-1361, database is CAplus and MEDLINE.

Palladium-catalyzed 1,4-difunctionalizations of isoprene that produce skipped polyenes were reported. Complex isomeric product mixtures were possible as a result of the difficult-to-control migratory insertion of isoprene into a Pd-alkenyl bond, but good site selectivity was achieved using easily accessible pyrox ligands. Mechanistic studies suggest that the control of insertion was the result of the unique electronic asymmetry and steric properties of the ligand.

Chemical Science published new progress about 844501-00-4. 844501-00-4 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Amide,Boronic Acids,Boronic acid and ester, name is (1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl)boronic acid, and the molecular formula is C10H18BNO4, Safety of (1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl)boronic acid.

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

van der Vlugt, Jarl Ivar published the artcileA Cationic Ag^I(PNP^tBu) Species Acting as PNP Transfer Agent: Facile Synthesis of Pd(PNP^tBu)(alkyl) Complexes and Their Reactivity Compared to PCP^tBu Analogues, COA of Formula: C23H43NP2, the publication is Organometallics (2009), 28(24), 7025-7032, database is CAplus.

The straightforward synthesis of cationic complex I, [Ag(PNP^tBu)]BF₄ (PNP^tBu = 1,2-bis[(di-tert-butylphosphino)methyl]pyridine), and its facile transmetalating properties toward gold and palladium are described. The corresponding Au complex [Au(PNP^tBu)]₂(BF₄)₂ (2) exists as a dimer in the solid state, as deduced by x-ray crystallog. The transmetalating properties were expanded to include the formation of Pd-alkyl species. Reaction of I with 0.5 equiv of Pd(allyl)(μ-Cl) dimer led to clean formation of the [Pd(PNP^tBu)(η¹-allyl)]BF₄ complex 3. The analogous cationic Me (4), cyanophenyl (5), and chloro species (6) could also be prepared in good yields from appropriate Pd precursors via this transmetalation methodol. The mol. structures for complexes 3–5 were established by x-ray crystallog. Reaction of complexes 4 and 6 with NaN(SiMe₃)₂ led to deprotonation and dearomatization of the PNP backbone with formation of the neutral Pd species 7 and 8, which can be regarded as the diphosphino-monoamido N-ligated analogs of well-studied Pd(PCP^tBu) complexes. These neutral Pd(PN^–P^tBu) complexes 7 and 8 displayed reasonable activity in the Suzuki-Miyaura coupling of phenylboronic acid pinacol ester and bromoarenes.

Organometallics published new progress about 338800-13-8. 338800-13-8 belongs to pyridine-derivatives, auxiliary class Bis-phosphine Ligands, name is 2,6-Bis((di-tert-butylphosphino)methyl)pyridine, and the molecular formula is C20H40O2, COA of Formula: C23H43NP2.

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

Oebbeke, Matthias published the artcileFragment Binding to Kinase Hinge: If Charge Distribution and Local pK_a Shifts Mislead Popular Bioisosterism Concepts, Related Products of pyridine-derivatives, the publication is Angewandte Chemie, International Edition (2021), 60(1), 252-258, database is CAplus and MEDLINE.

Medicinal-chem. optimization follows strategies replacing functional groups and attaching larger substituents at a promising lead scaffold. Well-established bioisosterism rules are considered, however, it is difficult to estimate whether the introduced modifications really match the required properties at a binding site. The electron d. distribution and pK_a values are modulated influencing protonation states and bioavailability. Considering the adjacent H-bond donor/acceptor pattern of the hinge binding motif in a kinase, the authors studied by crystallog. a set of fragments to map the required interaction pattern. Unexpectedly, benzoic acid and benzamidine, decorated with the correct substituents, are totally bioisosteric just as carboxamide and phenolic OH. A mono-dentate pyridine nitrogen out-performs bi-dentate functionalities. The importance of correctly designing pK_a values of attached functional groups by addnl. substituents at the parent scaffold is rendered prominent.

Angewandte Chemie, International Edition published new progress about 90778-25-9. 90778-25-9 belongs to pyridine-derivatives, auxiliary class Trifluoromethyl,Pyridine,Fluoride,Amine,Alcohol, name is 3-Amino-5-(trifluoromethyl)pyridin-2-ol, and the molecular formula is C6H5F3N2O, Related Products of pyridine-derivatives.

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

Ouyang, Yifan published the artcileDiscovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro-4H-[1,2,3]triazolo[4,5-c]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor, Application In Synthesis of 612845-44-0, the publication is Journal of Medicinal Chemistry (2022), 65(11), 7833-7842, database is CAplus and MEDLINE.

RIOK2 is an atypical kinase implicated in multiple human cancers. Although recent studies establish the role of RIOK2 in ribosome maturation and cell cycle progression, its biol. functions remain poorly elucidated, hindering the potential to explore RIOK2 as a therapeutic target. Here, we report the discovery of CQ211 (I), the most potent and selective RIOK2 inhibitor reported so far. CQ211 displays a high binding affinity (K_d = 6.1 nM) and shows excellent selectivity to RIOK2 in both enzymic and cellular studies. It also exhibits potent proliferation inhibition activity against multiple cancer cell lines and demonstrates promising in vivo efficacy in mouse xenograft models. The crystal structure of RIOK2-CQ211 sheds light on the mol. mechanism of inhibition and informs the subsequent optimization. The study provides a cell-active chem. probe for verifying RIOK2 functions, which may also serve as a leading mol. in the development of therapeutic RIOK2 inhibitors.

Journal of Medicinal Chemistry published new progress about 612845-44-0. 612845-44-0 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Ether,Boronic Acids,Boronic acid and ester, name is (6-Ethoxypyridin-3-yl)boronic acid, and the molecular formula is C7H10BNO3, Application In Synthesis of 612845-44-0.

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

Tominaga, Yoshinori published the artcileSynthesis of 2-methylthioindolizine-3-carbonitriles using nitroketene dithioacetal, Product Details of C7H7ClN2, the publication is Journal of Heterocyclic Chemistry (1988), 25(6), 1745-9, database is CAplus.

The reaction of 1-cyanomethylpyridinium chloride or bromide, with 1,1-bis(methylthio)-2-nitroethylene in the presence of Et₃N in ethanol gave the corresponding 2-methylthioindolizine-3-carbonitrile I (R = H, Ph; R¹ = H, Me, Et; R² = H, Et, Ph, CH₂Ph; R³ = H, Me, Et) and 2-methylthio-1-nitroindolizine-3-carbonitrile in good yields, resp. Compounds I (R-R³ = H; R = R² = H, R¹ = R³ = Me) were key intermediates for the synthesis of cycl[3,2,2]azine derivatives

Journal of Heterocyclic Chemistry published new progress about 17281-59-3. 17281-59-3 belongs to pyridine-derivatives, auxiliary class Pyridine,Nitrile,Salt, name is 1-(Cyanomethyl)pyridin-1-ium chloride, and the molecular formula is C11H16BNO3, Product Details of C7H7ClN2.

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