Tag: 100-200

The effect of alkyl chain length on the degradation of alkylimidazolium- and pyridinium-type ionic liquids in a Fenton-like system was written by Siedlecka, Ewa M.;Stepnowski, Piotr. And the article was included in Environmental Science and Pollution Research in 2009.Formula: C10H16ClN This article mentions the following:

Background, aim, and scope Ionic liquids are regarded as essentially “green” chems. because of their insignificant vapor pressure and, hence, are a good alternative to the emissions of toxic conventional volatile solvents. Not only because of their attractive industrial applications, but also due to their very high stability, ionic liquids could soon become persistent contaminants of technol. wastewaters and, moreover, break through into natural waters following classical treatment systems. The removal of harmful organic pollutants has forced the development of new methodologies known as advanced oxidation processes (AOPs). Among them, the Fenton and Fenton-like reactions are usually modified by the use of a higher hydrogen peroxide concentration and through different catalysts. The aim of this study was to assess the effect of hydrogen peroxide concentration on degradation rates in a Fenton-like system of alkylimidazolium ionic liquids with alkyl chains of varying length and 3-methyl-N-butylpyridinium chloride. Materials and methods The ionic liquids were oxidized in dilute aqueous solution in the presence of two different concentrations of hydrogen peroxide. All reactions were performed in the dark to prevent photoreduction of Fe(III). The concentrations of ionic liquids during the process were monitored with high-performance liquid chromatog. Preliminary degradation pathways were studied with the aid of ¹H NMR. Results Degradation of ionic liquids in this system was quite effective. Increasing the H₂O₂ concentration from 100 to 400 mM improved ionic liquid degradation from 57-84% to 87-100% after 60 min reaction time. Resistance to degradation was weaker, the shorter the alkyl chain. Discussion The compound omimCl was more resistant to oxidation then other compounds, which suggests that the oxidation rates of imidazolium ionic liquids by OH· are structure-dependent and are correlated with the n-alkyl chain length substituted at the N-1-position. The level of degradation was dependent on the type of head group. Replacing the imidazolium head group with pyridinium increased resistance to degradation Nonetheless, lengthening the alkyl chain from four to eight carbons lowered the rate of ionic liquid degradation to a greater extent than changing the head group from imidazolium to pyridinium. 1H-NMR spectra show, in the first stage of degradation, that it is likely that radical attack is nonspecific, with any one of the carbon atoms in the ring and the n-alkyl chain being susceptible to attack. Conclusions The proposed method has proven to be an efficient and reliable method for the degradation of imidazolium ionic liquids by a Fenton-like reagent deteriorated with lengthening n-alkyl substituents and by replacing the imidazolium head group with pyridinium. The enhanced resistance of 1-butyl-3-methylpyridinium chloride when the resistance of imidazolium ionic liquids decreases with increasing H₂O₂ concentration is probably indicative of a change in the degradation mechanism in a vigorous Fenton-like system. H-NMR spectra showed, in the first stage of degradation, that radical attack is nonspecific, with any one of the carbon atoms in the ring and the n-alkyl chain being susceptible to attack. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3Formula: C10H16ClN).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.Formula: C10H16ClN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Constitution of ricinine was written by Spath, Ernst;Koller, Georg. And the article was included in Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen in 1923.Computed Properties of C7H7NO3 This article mentions the following:

It was shown in the earlier paper that the compounds C₆H₇NO₂ and C₇H₉O₂N obtained from ricinine (I) with concentrated HCl and H₂SO₄, resp., are 1-methyl-4-hydroxy-and 1-methyl-4-methoxy-2-pyridone. It has now been found that when the HO group in ricinic acid (II) is replaced by Cl and the Cl is then replaced by H, the resulting ricinidine (III) is decomposed by alkalies into NH₃ and 1-methyl-2-pyrodone-3-carboxylic acid (IV), which, treated successively with SOCl₂ and NH₃, yields an amide regenerating III on dehydration. These results show that I is 1-methyl-3-cyano-4-methoxy-2-pyridone, CH: CH.C(OMe): C(CN).CO.NMe. The compound C₇H₅ON₂Cl, obtained in 3.5 g. yield from 4 g. II heated 6 hrs. at 100° in a sealed tube with 60 cc. POCl₃, m. 159°, produces sneezing, regenerates II and I when refluxed with Na in MeOH; 1.5 g. in EtOH with 3 g. of 4% Pd-BaSO₄ and 4.5 g. NaOAc hydrogenated under pressure yields 1.256 g. III, b₁₈ 243°, m. 140°, 0.5 g. of which, refluxed 5 hrs. with 2.5 g. Na in 50 cc. MeOH gives 1-methyl-2-pyridone-3-carboxamide (V), m. 216°; 0.095 g. of this on 62 hrs. further refluxing with 2 g. Na in 40 cc. MeOH gives NH₃ and IV, m. 184°. IV is not identical with 2-pyridone-1-acetic acid, m. 220-3°, which was obtained in 0.74 g. yield from 2.3 g. 2-methoxypyridine and 6.97 g. ICH₂CO₂Me heated 12 hrs. on the H₂O bath under a reflux, freed from the excess of methoxypyridine with steam, made strongly alk. and allowed to stand 2 hrs. Nor is IV identical with 1-methyl-2-pyridone-6-carboxylic acid, m. 247-8°, which was obtained in 0.1505 g. yield from the di-Ag salt from 1 g. 2-hydroxypyridine-6-carboxylic acid and 8 cc. MeI heated in a sealed tube 48 hrs. at 100° and 12 hrs. at 130°; on heating, it gives 1-methyl-2-pyridone. IV was synthesized by heating di-Ag 2-hydroxypyridine-3-carboxylate with excess of Mel 40 hrs. at 100°, evaporating off the Mel, extracting the residue with hot alc., evaporating the extract, dissolving the residue in a little H₂O, removing the I with a few drops of aqueous H₂SO₃, making strongly alk. and heating on the H₂O bath 1 hr.; it was also obtained (in better yield -0.992 g.) from 1 g. 2-hydroxypyridine-3-carboxylic acid and 0.48 g. Na in 20 cc. MeOH evaporated to dryness in vacuo, heated 35 hrs. at 100° with 16 cc. MeI, evaporated and heated 1 hr. on the H₂O bath with 2.7 g. KOH in H₂O V was synthesized (yield, 0.425 g.) by heating 0.56 g. IV 1 hr. on the H₂O bath with 5 cc. SOCl₂ and treating the resulting chloride with excess of concentrated aqueous NH₄OH; distilled in vacuo with P₂O₅ it gives III, while 0.037 g. heated 5 hrs. at 100° in a sealed tube with 1 cc. POCl₃ yields 2-chloro-3-cyanopyridine (VI) and 0.014 g. III. 2-Chloropyridine-3-carboxamide (0.736 g. from 1 g. of the acid refluxed 4 hrs. with 2 g. PCl₆ and 25 cc. POCl₃ and then 4 hrs. longer with 2 g. more of PCl₅, freed from the P chlorides in vacuo and allowed to stand some time with concentrated NH₄OH), m. 163-4°; 0.05 g. cautiously heated in vacuo with 0.078 g. P₂O₅ yields VI, m. 103-5°, also obtained by heating 0.04 g. III at 150° in a sealed tube with 0.045 g. POCl₃ and 0.42 g. PCl₅ or by heating 0.318 g. of the amide 16 hrs. at 100° in a bomb with 15 cc. POCl₃. The formation of VI from III confirms the view that III is 1-methyl-3-cyano-2-pyridone. In the experiment, the researchers used many compounds, for example, 1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid (cas: 59864-31-2Computed Properties of C7H7NO3).

1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid (cas: 59864-31-2) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Computed Properties of C7H7NO3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Selective electrochemical oxidation of aromatic hydrocarbons and preparation of mono/multi-carbonyl compounds was written by Li, Zhibin;Zhang, Yan;Li, Kuiliang;Zhou, Zhenghong;Zha, Zhenggen;Wang, Zhiyong. And the article was included in Science China: Chemistry in 2021.Product Details of 91-02-1 This article mentions the following:

A selective electrochem. oxidation was developed under mild condition. Various mono-carbonyl and multi-carbonyl compounds can be prepared from different aromatic hydrocarbons with moderate to excellent yield and selectivity by virtue of this electrochem. oxidation The produced carbonyl compounds can be further transformed into α-ketoamides, homoallylic alcs. and oximes in a one-pot reaction. In particular, a series of α-ketoamides were prepared in a one-pot continuous electrolysis. Mechanistic studies showed that 2,2,2-trifluoroethan-1-ol (TFE) can interact with catalyst species and generate the corresponding hydrogen-bonding complex to enhance the electrochem. oxidation performance. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Product Details of 91-02-1).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Product Details of 91-02-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Syntheses, crystal structures and magnetic study of two binuclear manganese(II) complexes with aromatic N-oxide as bridging ligand was written by Shi, J.-M.;Liu, Z.;Li, W.-N.;Zhao, H. Y.;Liu, L.-D.. And the article was included in Journal of Coordination Chemistry in 2007.Related Products of 3718-65-8 This article mentions the following:

Two new binuclear complexes, [Mn₂(μ-dmpo)₂(SCN)₄(H₂O)₂] (1, dmpo = 3,5-dimethylpyridine N-oxide), [Mn₂(μ-po)₂(H₂O)₆I₂]I₂ (2, po = pyridine N-oxide), were synthesized and their crystal structures determined by x-ray crystallog. Complexes 1 and 2 crystallize in monoclinic, space group P2₁/c, with a 8.8836(18), b 15.450(3), c 15.484(3) Å, β 91.020(3)° for 1, and a 8.8352(13), b 17.927(3), c 8.3338(12) Å, β 103.765(2)° for 2. In each binuclear complex two Mn(II) were bridged by two 3,5-dimethylpyridine N-oxides or by two pyridine N-oxides and the distances between the bridged Mn(II) ions are 3.599 Å for 1 and 3.552 Å for 2. Variable temperature (4-300 K) magnetic measurements were performed for 1 and the susceptibility data were fitted by using a binuclear Mn(II) magnetic coupling formula producing the 2J = -2.17 cm^-1. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Related Products of 3718-65-8).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Related Products of 3718-65-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Cyclometallated compounds XIV. Kinetic versus thermodynamic control in the reversible cyclopalladation of 2-(2-naphthyloxy)pyridine was written by O’Keefe, Brendan J.;Steel, Peter J.. And the article was included in Inorganic Chemistry Communications in 1999.HPLC of Formula: 4783-68-0 This article mentions the following:

Reaction of 2-(2-naphthyloxy)pyridine with palladium acetate, in acetic acid at room temperature, gives, selectively, the kinetically controlled regioisomer from cyclopalladation in the 1-position, whereas, under reflux, the thermodynamically more stable 3-substituted isomer is exclusively formed. Furthermore, the 1-substituted isomer readily interconverts to the 3-substituted isomer on heating, indicating reversibility of the C-H bond-breaking step. That this is a general phenomenon is demonstrated by deuterium labeling experiments with related ligands. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0HPLC of Formula: 4783-68-0).

2-Phenoxypyridine (cas: 4783-68-0) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.HPLC of Formula: 4783-68-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Oximes of 2-acylpyridine and 2-acylquinoline was written by Nakashima, Tatsumi. And the article was included in Yakugaku Zasshi in 1957.Computed Properties of C11H9NO This article mentions the following:

2-NCC₅H₄N reacted with RMgX in Et₂O to give 2-ROCC₅H₄N (I) and the I reacted with NH₂OH.HCl to give the oxime. I prepared were (R. b.p./mm. and m.p. of its oxime given): Me, 65-6°/8, 121°; Et, 80-4°/5, 106°; PhCH₂, 138-42°/2, 157° [picrate, C₁₉H₁₄O₈N₄, m. 161° (decomposition); phenylhydrazone, C₁₉H₁₇N₃, m. 96°]; Ph, 165°/7, 152°. 2-MeC₅H₄N (30 g.) was transformed into 2-PhCH:CHC₅H₄N, then 2-PhCHBrCHBrC₅H₄N, which with alc. KOH yielded 30 g. 2-PhCCC₅H₄N (II), b₅ 174°, m. 78-80°. II with H₂SO₄ kept 48 hrs. at room temperature, the product treated with NH₄OH to pH 8, and extracted with Et₂O gave 2-PhCOCH₂C₅H₄N (III), m. 54°, with poor yield; oxime, m. 120°. Alternatively, treating 2-MeC₅H₄N with Li to form 2-LiCH₂C₅H₄N, and treating this with BzOMe yielded 75% III. Similarly are prepared 2-RCOC₉H₆N (IV) (R, m.p. and m.p. of oxime given): Me, 52-3°, 143.5°; Et, 59-60°, 107°; Ph, 111°, 168-9°. 2-EtO₂CC₉H₆N and PhCH₂CN in EtOH with EtONa yielded 2-PhCH(CN)COC₉H₆N (V), m. 100°. V (1 g.), 1 g. AcOH, 0.7 g. H₂SO₄, and 1.5 ml. H₂O heated at 90-100°, and 1 hr. at 120°, the product poured in ice H₂O, and recrystallized from EtOH gave 0.85 g. 2-PhCH₂COC₉H₆N, m. 78° (oxime, m. 128.5°). 2-PhCCC₉H₆N (19 g.) and 225 ml. H₂SO₄ treated as in III gave 1.5 g. 2-PhCOCH₂C₉H₆N (VI), m. 120-2° (oxime, m. 174-5°). Alternatively, a solution of 1.4 g. Li in 120 ml. Et₂O and 16 g. PhBr treated with 14.5 g. 2-MeC₉H₆N in Et₂O and 7.4 g. BzOMe, the product poured in 60 g. ice and 8 g. NH₄Cl, and the Et₂O removed gave 4.7 g. VI, m. 122°. 2-PhC(:NOH)C₉H₆N in 10 ml. CHCl₃ treated with 0.66 g. SOCl₂, the CHCl₃ and SOCl₂ removed in vacuo, the residue refluxed 3 hrs. with 6N HCl, the product extracted with Et₂O gave 0.5 g. BzOH, m. 119-21°; the HCl layer made alk. and extracted with Et₂O gave 0.4 g. 2-H₂NC₉H₆N, m. 128°. 2-PhC(:NOH)C₆H₄N and 2-acylquinolines do not form complex salt with Fe⁺⁺. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Computed Properties of C11H9NO).

2-Phenoxypyridine (cas: 4783-68-0) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Computed Properties of C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

A Bifunctional Iron Nanocomposite Catalyst for Efficient Oxidation of Alkenes to Ketones and 1,2-Diketones was written by Song, Tao;Ma, Zhiming;Ren, Peng;Yuan, Youzhu;Xiao, Jianliang;Yang, Yong. And the article was included in ACS Catalysis in 2020.Reference of 91-02-1 This article mentions the following:

The fabrication of a bifunctional iron nanocomposite catalyst, in which two catalytically active sites of Fe-Nx and Fe phosphate, as oxidation and Lewis acid sites, were simultaneously integrated into a hierarchical N,P-dual doped porous carbon was reported. As a bifunctional catalyst, it exhibited high efficiency for direct oxidative cleavage of alkenes into ketones or their oxidation into 1,2-diketones with a broad substrate scope and high functional group tolerance using TBHP as the oxidant in water under mild reaction conditions. Furthermore, it could be easily recovered for successive recycling without appreciable loss of activity. Mechanistic studies disclose that the direct oxidation of alkenes proceeds via the formation of an epoxide as intermediate followed by either acid-catalyzed Meinwald rearrangement to give ketones with one carbon shorter or nucleophilic ring-opening to generate 1,2-diketones in a cascade manner. This study not only opens up a fancy pathway in the rational design of Fe-N-C catalysts but also offers a simple and efficient method for accessing industrially important ketones and 1,2-diketones from alkenes in a cost-effective and environmentally benign fashion. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Reference of 91-02-1).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Reference of 91-02-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of N-arylpyridinium salts bearing a nitrone spin trap as potential mitochondria-targeted antioxidants was written by Robertson, Linsey;Hartley, Richard C.. And the article was included in Tetrahedron in 2009.COA of Formula: C11H17N This article mentions the following:

The generation of excess reactive oxygen species (ROS) in mitochondria is responsible for much of the oxidative stress associated with aging, and mitochondrial dysfunction is part of the pathol. of neurodegeneration and type 2 diabetes. Lipophilic pyridinium ions are known to accumulate in mitochondria and this paper describes a general route for the preparation of nitrone-containing N-arylpyridinium salts having a range of lipophilicities, as potential therapeutic antioxidants. The compatibility of nitrones with the Zincke reaction is the key to their synthesis. Their trapping of carbon-centered radicals and the EPR spectra of the resulting nitroxides are reported. In the experiment, the researchers used many compounds, for example, 4-Hexylpyridine (cas: 27876-24-0COA of Formula: C11H17N).

4-Hexylpyridine (cas: 27876-24-0) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. COA of Formula: C11H17N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Aziridination of olefins mediated by a [Cu^I(L1)₂]⁺ complex via nitrene transfer reaction was written by Kumar, Pardeep;Chikara, Ashwani;Sen, Asmita;Shanmugam, Maheswaran. And the article was included in Inorganica Chimica Acta in 2022.Related Products of 91-02-1 This article mentions the following:

Copper-catalyzed aziridination of alkenes is dominated in the literature compared to any other metal catalysts. This catalytic reaction is believed to be mediated by the elusive Cu-nitrene intermediate. However, anal. characterization of this intermediate is extremely scarce in the literature. In this article, we intend to shed the light on the electronic structure of the Cu-nitrene intermediate. The reaction of Cu(I) salt in the presence of the redox-active bidentate Schiff base ligand (C₂₁H₂₀N₂; L1) led us to isolate a monomeric copper(I) complex with the mol. formula of [Cu(L1)₂]ClO₄. 2C₆H₆ (1), which was structurally characterized. Complex 1 behaves as an excellent catalyst that promotes the nitrene group transfer to the variety of alkenes in the presence of (N-(p-tolylsulfonyl)imino)phenyliodinane (PhINTs). The intermediate generated from 1 by the addition of PhINTs shows an m/z peak at 832.3079 g/mol which corresponds to an M+ ion peak of the intermediate with the mol. formula of [(L1)₂Cu^II-NTs]⁺ (where Ts = Tosyl). Further, based on the detailed exptl. studies (in-situ UV-Vis measurement and X-band EPR measurements) we propose that the active catalyst that possesses the copper ion in its +2 oxidation state under our exptl. condition, whose electronic structure can be best described as [(L1)₂Cu^II-NTs]⁺ nitrene radicals. The optimized structure of the Cu-nitrene intermediate suggests that the triplet state was found to be the ground state. Besides, we propose a mechanism for this catalytic reaction. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Related Products of 91-02-1).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Related Products of 91-02-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Identification of influenza PA-Nter endonuclease inhibitors using pharmacophore- and docking-based virtual screening was written by Ferro, Stefania;Gitto, Rosaria;Buemi, Maria Rosa;Karamanou, Spyridoula;Stevaert, Annelies;Naesens, Lieve;De Luca, Laura. And the article was included in Bioorganic & Medicinal Chemistry in 2018.Application of 34206-49-0 This article mentions the following:

Searching for new antiviral agents, we focused our interest on the influenza PA-Nter endonuclease. Therefore, we developed a three-dimensional pharmacophore model which contains the binding features addressed to the metal-chelating active site. The obtained hypothesis has been fruitfully employed to select three “hit compounds” through an in silico screening campaign on our inhouse database of small mols. We studied the binding poses of these hit compounds using mol. docking, and subjected them to an enzymic assay with recombinant PA-Nter endonuclease. Compound I proved the most active inhibitor of the endonucleolytic cleavage reaction, with an IC₅₀ value of 12 μM. In the experiment, the researchers used many compounds, for example, 5-Bromopyridine-2,3-diol (cas: 34206-49-0Application of 34206-49-0).

5-Bromopyridine-2,3-diol (cas: 34206-49-0) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Application of 34206-49-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem