Category: pyridine-derivatives

Recommanded Product: Phenyl(pyridin-2-yl)methanone. In 2021.0 ACS CATAL published article about C(SP(3))-H BORYLATION; BIPYRIDINE LIGAND; ARENES; ACTIVATION; COMPLEXES; CYCLOPROPANATION; C(SP(2))-H; FUNCTIONALIZATION; BONDS in [Song, Peidong; Yu, Tao; Li, Pengfei] Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710054, Peoples R China; [Hu, Linlin; He, Yangqing] Xian Univ Technol, Dept Appl Chem, Xian 710048, Peoples R China; [Jiao, Jiao] Xi An Jiao Tong Univ, Sch Chem, Xian Key Lab Sustainable Energy Mat Chem, Xian 710049, Peoples R China; [Xu, Liang] Shihezi Univ, Sch Chem & Chem Engn, Key Lab Green Proc Chem Engn Xinjiang Bingtuan, Shihezi 832003, Peoples R China; [Li, Pengfei] Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China in 2021.0, Cited 104.0. The Name is Phenyl(pyridin-2-yl)methanone. Through research, I have a further understanding and discovery of 91-02-1.

Although pyridine derivatives are versatile supporting ligands in catalysis, the development of their chiral versions has been relatively limited. Herein, we report the design, synthesis, and proof-of-concept application of a structurally tunable chiral pyridine framework featuring an annulated compact ring system. Using an N,B-bidentate ligand skeleton containing the chiral pyridine moiety, we have developed an enantioselective iridium-catalyzed desymmetrizing C-H borylation reaction of diaryl(2-pyridyl)methane compounds with up to 96% ee and 93% yield. The resulting borylation products could be readily transformed into various chiral tri(hetero)arylmethane compounds. Density functional theory investigations revealed that the two chair conformations of the flexible ketal motif both favored the enantiomer that was consistent with experimental results. This work has thus introduced an effective and tunable chiral pyridine ligand framework that may be used in many catalytic asymmetric transformations.

About Phenyl(pyridin-2-yl)methanone, If you have any questions, you can contact Song, PD; Hu, LL; Yu, T; Jiao, J; He, YQ; Xu, L; Li, PF or concate me.. Recommanded Product: Phenyl(pyridin-2-yl)methanone

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

An article A novel diarylethene probe with high selective recognition of CN- and Mg2+ and its application WOS:000573273600005 published article about DUAL-CHANNEL RECOGNITION; MOLECULAR LOGIC GATES; TURN-ON SENSOR; FLUORESCENT SENSOR; AQUEOUS-MEDIA; COLORIMETRIC SENSOR; SCHIFF-BASE; CYANIDE; CHEMOSENSOR; MAGNESIUM in [Yuwen, Zhiyang; Li, Hui; Pu, Shouzhi] Jiangxi Sci & Technol Normal Univ, Jiangxi Key Lab Organ Chem, Nanchang 330013, Jiangxi, Peoples R China; [Mei, Hongxin] Nanchang Normal Univ, Dept Chem, Nanchang 330013, Jiangxi, Peoples R China in 2020.0, Cited 70.0. COA of Formula: C8H10ClNO3. The Name is 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride. Through research, I have a further understanding and discovery of 65-22-5

A chemical sensor composed of pyridoxal hydrochloride schiff base based on diarylethene (1O) was synthesized. Its photochemical properties and selectivity to ions were further studied. The chemosensor could detect cyanide effectively and is almost undisturbed by other ions. When titrating CN-, the reaction aroused a distinct change in the absorption spectrum with the color change from transparent to yellow, and the fluorescence intensity centered at 562 nm was increased 68 folds. It also exhibited a good fluorescence sensing of Mg(2+ )with high selectivity and sensitivity. Upon addition of Mg2+, its emission intensity enhanced 110 folds, with the color change from dark to bright blue. Its good spectral response could be applied to molecular logic circuit. Moreover, the chemosensor could be made into test paper strips for the qualitative and quantitative detection of CN- and Mg2+.

About 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride, If you have any questions, you can contact Yuwen, ZY; Mei, HX; Li, H; Pu, SZ or concate me.. COA of Formula: C8H10ClNO3

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

In 2020.0 BIOORG MED CHEM LETT published article about BIOLOGICAL EVALUATION; CYCLE ARREST; IN-VITRO; ANTIOXIDANT; DERIVATIVES; APOPTOSIS in [Gu, Xiaoke; Li, Xin; Guan, Mingyu; Jiang, Chunyu; Song, Qinghua; Sun, Nan; Qiu, Jingying] Xuzhou Med Univ, Jiangsu Key Lab New Drug Res & Clin Pharm, Xuzhou 221004, Jiangsu, Peoples R China; [Zou, Yueting; Zhou, Qingqing; Chen, Jing; Qiu, Jingying] Xuzhou Med Univ, Sch Pharm, Dept Pharmaceut Anal, Xuzhou 221004, Jiangsu, Peoples R China in 2020.0, Cited 27.0. The Name is Phenyl(pyridin-2-yl)methanone. Through research, I have a further understanding and discovery of 91-02-1. Category: pyridine-derivatives

P-glycoprotein (P-gp)-mediated multidrug resistance (MDR) is a major obstacle to successful chemotherapy for leukemia. In this study, a series of thiosemicarbazone-containing compounds (4a-b, 7a-q) were synthesized. Biological evaluation showed that the most active compound 7e displayed potent anti-leukemia activity against P-gp overexpressing drug-resistant K562/A02 cells, with an IC50 value of 0.44 mu M. Notably, compound 7e exhibited a selective killing effect on K562/A02 cells by dose-dependently increasing the intracellular levels of reactive oxygen species (ROS), thus exerting a potential collateral sensitivity (CS)-promoting effect in vitro. Moreover, compound 7e could inhibit HDAC1 and HDAC6, and induce the apoptosis of K562/A02 cells by increasing the expression of Bax, decreasing Bcl-2 protein level, and promoting the cleavage of caspase-3 and PARP, respectively. Overall, 7e may be a potential anti-cancer agent against drug-resistant myelogenous leukemia.

Category: pyridine-derivatives. About Phenyl(pyridin-2-yl)methanone, If you have any questions, you can contact Gu, XK; Li, X; Guan, MY; Jiang, CY; Song, QH; Sun, N; Zou, YT; Zhou, QQ; Chen, J; Qiu, JY or concate me.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

HPLC of Formula: C6H5NO. In 2020.0 MOLECULES published article about BIOLOGICAL EVALUATION; MOLECULAR DOCKING; CRYSTAL-STRUCTURE; PYRAZOLINES; ANTICANCER; ANTIBACTERIAL; ANALOGS in [Shaik, Afzal B.] Jawaharlal Nehru Technol Univ, Vignan Pharm Coll, Dept Pharmaceut Chem, Vadlamudi 522213, India; [Bhandare, Richie R.; Edis, Zehra] Ajman Univ, Coll Pharm & Hlth Sci, Dept Pharmaceut Sci, POB 346, Ajman, U Arab Emirates; [Tangirala, N. Ravikiran] Jawaharlal Nehru Technol Univ, Narasaraopeta Inst Pharmaceut Sci, Dept Pharmaceut Chem, Narsaraopet 522601, India; [Shahanaaz, Shaik] Victoria Coll Pharm, Dept Pharmaceut Chem, Nallapadu 522001, India; [Rahman, M. Mukhlesur] Univ East London, Sch Hlth Sports & Biosci, Med Res Grp, Stratford Campus,Water Lane, London E15 4LZ, England in 2020.0, Cited 47.0. The Name is 3-Pyridinecarboxaldehyde. Through research, I have a further understanding and discovery of 500-22-1.

Infectious diseases caused by fungi and mycobacteria pose an important problem for humankind. Similarly, cancer is one of the leading causes of death globally. Therefore, there is an urgent need for the development of novel agents to combat the deadly problems of cancer, tuberculosis, and also fungal infections. Hence, in the present study, we designed, synthesized, and characterized 30 compounds including 15 chalcones (2-16) and 15 dihydropyrazoles (17-31) containing dichlorophenyl moiety and also screened these compounds for their antifungal, antitubercular, and antiproliferative activities. Among these compounds, the dihydropyrazoles showed excellent antifungal and antitubercular activities whereas the chalcones exhibited promising antiproliferative activity. Among the dihydropyrazoles, compound31containing 2-thienyl moiety showed promising antifungal activity (MIC 5.35 mu M), whereas compounds22and24containing 2,4-difluorophenyl and 4-trifluoromethyl scaffolds revealed significant antitubercular activity with the MICs of 3.96 and 3.67 mu M, respectively. Compound16containing 2-thienyl moiety in the chalcone series showed the highest anti-proliferative activity with an IC(50)value of 17 +/- 1 mu M. The most active compounds identified through this study could be considered as starting points in the development of drugs with potential antifungal, antitubercular, and antiproliferative activities.

HPLC of Formula: C6H5NO. About 3-Pyridinecarboxaldehyde, If you have any questions, you can contact Shaik, AB; Bhandare, RR; Nissankararao, S; Edis, Z; Tangirala, NR; Shahanaaz, S; Rahman, MM or concate me.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

HPLC of Formula: C8H9NO2. Recently I am researching about LONG-TERM STABILITY; DEGRADATION; OXIDATION; ACID; PERFORMANCE; DISSOCIATION; CONVERSION; COMPLEXES; CONSTANTS; PRODUCTS, Saw an article supported by the . Published in PERGAMON-ELSEVIER SCIENCE LTD in OXFORD ,Authors: Lund, T; Hansen, PE; Josephsen, J; Krake, NJ; Mortensen, J. The CAS is 614-18-6. Through research, I have a further understanding and discovery of Ethyl nicotinate

The detrimental effect of electrolyte water contamination on the light-soaking lifetime of Dye-sensitized Solar Cells (DSCs) prepared with RuLL'(NCS)(2) dyes and N-additives like 4-tert-butylpyridine (TBP) is not well understood. A new explanation is presented based on investigation of the stability of the ruthenium(III) complexes Ru(bipy)(2)(NCS)(2)(+) (1(+)) and RuLL'(NCS)(2)(+) (L = 4,4′-dicarboxy-2,2′-bipyridine, L’ = 4,4′-nonyl-2,2′-bipyridine) (Z907(+)) in acetonitrile in the presence of water and pyridines covering a large variation in basicity. 1(+) reacts with small amounts of water in the acetonitrile containing a pyridine base (X) according to the overall reaction: 6Ru(bipy)(2)(NCS)(2)(+) + 4H(2)O + 8X -> 5Ru(bipy)(2)(NCS)(2) + Ru(bipy)(2)(NCS)(CN) + SO42- + 8XH(+). The reaction mechanism of 1(+) (and Z907(+)) is proposed to be initiated by an attack of OH- giving Ru(bipy)(2)(NCS)(NCS-OH). The stronger the base the faster the reaction. Extrapolating the life time of Z907(+) to a typical TBP concentration of 0.5 M in the DSC gives a degradation rate around 7 s(-1). Z907(+) bound to a layer of nano crystalline TiO2 surface reacted fast too, when inserted in an acetonitrile solution containing 4-tentbutylpyridine. In a wet electrolyte, containing more than 500 mM of water the light-soaking lifetime of a DSC prepared with Z907 is predicted to be about 10 days at out-door light soaking conditions, whereas trace amounts of water (< 25 mM) in a dry electrolyte is used up by consumption of only 10% of the Z907 in a typical DSC. Therefore, the DSC is expected to have a long light-soaking lifetime with a dry electrolyte. HPLC of Formula: C8H9NO2. About Ethyl nicotinate, If you have any questions, you can contact Lund, T; Hansen, PE; Josephsen, J; Krake, NJ; Mortensen, J or concate me.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Product Details of 91-02-1. I found the field of Chemistry very interesting. Saw the article Electrochemical C-H oxygenation and alcohol dehydrogenation involving Fe-oxo species using water as the oxygen source published in 2019.0, Reprint Addresses Stahl, SS (corresponding author), Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53706 USA.. The CAS is 91-02-1. Through research, I have a further understanding and discovery of Phenyl(pyridin-2-yl)methanone.

High-valent iron-oxo complexes are key intermediates in C-H functionalization reactions. Herein, we report the generation of a (TAML)Fe-oxo species (TAML = tetraamido macrocyclic ligand) via electrochemical proton-coupled oxidation of the corresponding (TAML)Fe-III-OH2 complex. Cyclic voltammetry (CV) and spectroelectrochemical studies are used to elucidate the relevant (TAML)Fe redox processes and determine the predominant (TAML)Fe species present in solution during bulk electrolysis. Evidence for iron(iv) and iron(v) species is presented, and these species are used in the electrochemical oxygenation of benzylic C-H bonds and dehydrogenation of alcohols to ketones.

Product Details of 91-02-1. About Phenyl(pyridin-2-yl)methanone, If you have any questions, you can contact Das, A; Nutting, JE; Stahl, SS or concate me.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

An article Antimicrobial and antitumor activity of S-methyl dithiocarbazate Schiff base zinc(II) complexes WOS:000667427600006 published article about X-RAY-STRUCTURE; METAL-COMPLEXES; BIOLOGICAL EVALUATION; CRYSTAL-STRUCTURE; DNA-BINDING; METHYLDITHIOCARBAZATE SMDTC; ANTIBACTERIAL ACTIVITY; ANTIFUNGAL ACTIVITY; CIRCULAR-DICHROISM; ZN(II) COMPLEXES in [Ramilo-Gomes, Filipa; Addis, Yemataw; Tekamo, Israel; Cavaco, Isabel; Matilde Marques, M.; Pessoa, Joao Costa; Correia, Isabel] Univ Lisbon, Inst Super Tecn, Ctr Quim Estrutural, Av Rovisco Pais, P-1049001 Lisbon, Portugal; [Ramilo-Gomes, Filipa; Addis, Yemataw; Tekamo, Israel; Cavaco, Isabel; Matilde Marques, M.; Pessoa, Joao Costa; Correia, Isabel] Univ Lisbon, Inst Super Tecn, Dept Engn Quim, Av Rovisco Pais, P-1049001 Lisbon, Portugal; [Ramilo-Gomes, Filipa] Univ Lisbon, Inst Invest Medicamento IMed ULisboa, Fac Farm, Av Prof Gama Pinto, P-1649003 Lisbon, Portugal; [Addis, Yemataw; Tekamo, Israel; Cavaco, Isabel] Univ Algarve, Dept Quim & Farm, Campus Gambelas, P-8005139 Faro, Portugal; [Campos, Debora L.; Pavan, Fernando R.] UNESP, Fac Ciencias Farmaceut, CP 582, BR-14801902 Araraquara, SP, Brazil; [Gomes, Clara S. B.] Univ NOVA Lisboa, Dept Quim, LAQV REQUIMTE Lab Associado Quim Verde, Fac Ciencias & Tecnol, P-2829516 Monte De Caparica, Portugal; [Gomes, Clara S. B.] Univ NOVA Lisboa, Appl Mol Biosci Unit UCIBIO, Fac Ciencias & Tecnol, P-2829516 Monte De Caparica, Portugal; [Brito, Vanessa; Santos, Adriana O.; Domingues, Fernanda; Luis, Angelo; Ferreira, Susana; Silvestre, Samuel] Univ Beira Interior, CICS UBI Hlth Sci Res Ctr, Av Infante D Henrique, P-6200506 Covilha, Portugal in 2021.0, Cited 80.0. The Name is 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride. Through research, I have a further understanding and discovery of 65-22-5. Recommanded Product: 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride

Schiff bases (SB) obtained from S-methyl dithiocarbazate and aromatic aldehydes: salicylaldehyde (H2L1), ovanillin (H2L2), pyridoxal (H2L3) and 2,6-diformyl-4-methylphenol (H3L4), and their corresponding Zn(II)complexes (1-4), are synthesized. All compounds are characterized by elemental analyses, infrared, UV-Vis, nuclear magnetic resonance spectroscopy and mass spectrometry. The structures of H2L2 and [Zn-2(L-1)(2)(H2O) (DMF)] (1a) (DMF = dimethylformamide) are solved by single crystal X-ray diffraction. The SB coordinates the metal center through the Ophenolate, Nimine and Sthiolate atoms. The radical scavenging activity is tested using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, with all ligand precursors showing IC50 values similar to 40 mu M. Cytotoxicity studies with several tumor cell lines (PC-3, MCF-7 and Caco-2) as well as a non-tumoral cell line (NHDF) are reported. Interestingly, 1 has relevant and selective antiproliferative effect against Caco-2 cells (IC50 = 9.1 mu M). Their antimicrobial activity is evaluated in five bacterial strains (Klebsiella pneumoniae, Acinetobacter baumannii, Listeria monocytogenes, Pseudomonas aeruginosa and Staphylococcus aureus) and two yeast strains (Candida albicans and Candida tropicalis) with some compounds showing bacteriostatic and fungicidal activity. The minimal inhibitory concentration (MIC90) of HnL against Mycobacterium tuberculosis is also reported, with H2L2 and H3L4 showing very high activity (MIC90 < 0.6 mu g/mL). The ability of the compounds to bind bovine serum albumin (BSA) and DNA is evaluated for H3L4 and [Zn-2(L-4)(CH3COO)] (4), both showing high binding constants to BSA (ca. 106 M 1) and ability to bind DNA. Overall, the reported compounds show relevant antitumor and antimicrobial properties, our data indicating they may be promising compounds in several fields of medicinal chemistry. About 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride, If you have any questions, you can contact Ramilo-Gomes, F; Addis, Y; Tekamo, I; Cavaco, I; Campos, DL; Pavan, FR; Gomes, CSB; Brito, V; Santos, AO; Domingues, F; Luis, A; Marques, MM; Pessoa, JC; Ferreira, S; Silvestre, S; Correia, I or concate me.. Recommanded Product: 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

SDS of cas: 65-22-5. Authors Zubenko, AA; Divaeva, LN; Morkovnik, AS; Fetisov, LN; Sochnev, VS; Kononenko, KN; Bodryakov, AN; Klimenko, AI in MAIK NAUKA/INTERPERIODICA/SPRINGER published article about in [Zubenko, A. A.; Fetisov, L. N.; Kononenko, K. N.; Bodryakov, A. N.; Klimenko, A. I.] Fed Rostov Agr Sci Ctr, North Caucasian Zonal Vet Res Inst, Novocherkassk 346406, Russia; [Divaeva, L. N.; Morkovnik, A. S.; Sochnev, V. S.] Southern Fed Univ, Inst Phys & Organ Chem, Rostov Na Donu 344090, Russia in 2020.0, Cited 29.0. The Name is 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride. Through research, I have a further understanding and discovery of 65-22-5

4-Hydroxymethyl-2-hetaryl(hetaroyl)furo[2,3-c]pyridines, the products of furan cyclization of pyridoxal with acylmethyl- and heteroarylmethyl halides, easily react with thionyl chloride in DMF to form new series of 4-chloromethyl-2-heteroaryl[2,3-c]pyridines. Further action of primary or secondary amines on these chloromethyl derivatives leads to the nucleophilic substitution of chlorine atoms with the formation of 4-aminomethyl-2-heteroaryl[2,3-c]pyridines. The study of anti-infective activity of the 4-RCH2-furo[2,3-c]pyridines (R = OH, Cl, (NRR2)-R-1) showed significant protistocidal and moderate antibacterial activity of some of representatives of these compounds.

About 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride, If you have any questions, you can contact Zubenko, AA; Divaeva, LN; Morkovnik, AS; Fetisov, LN; Sochnev, VS; Kononenko, KN; Bodryakov, AN; Klimenko, AI or concate me.. SDS of cas: 65-22-5

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Product Details of 500-22-1. Leijendekker, LH; Weweler, J; Leuther, TM; Kratz, D; Streuff, J in [Leijendekker, Leonardus H.; Weweler, Jens; Leuther, Tobias M.; Streuff, Jan] Albert Ludwigs Univ Freiburg, Inst Organ Chem, Albertstr 21, D-79104 Freiburg, Germany; [Kratz, Daniel] Albert Ludwigs Univ Freiburg, Inst Anorgan & Analyt Chem, Albertstr 21, D-79104 Freiburg, Germany published Development, Scope, and Applications of Titanium(III)-Catalyzed Cyclizations to Aminated N-Heterocycles in 2019, Cited 121. The Name is 3-Pyridinecarboxaldehyde. Through research, I have a further understanding and discovery of 500-22-1.

The exceptionally mild conditions of a titanium(III)-catalyzed cyclization reaction paired with a convenient acid/base extraction have enabled the straightforward synthesis, isolation, and direct N-functionalization of amino heterocycles such as 3-aminoindoles and -pyrroles. The unprotected heterocycles are ideal building blocks for the installation of aminated indoles and pyrroles into target molecules, but their sensitivity has previously impeded their synthesis by modern catalytic methods. This full paper presents the development and extended scope of the new cyclization methodology. The transformation of the products into fused bis-indoles is also demonstrated along with the discovery of an unusual palladium-catalyzed reductive biphenyl coupling reaction. The titanium(III)-catalyzed cyclization has also been applied to the synthesis of substituted 3-iminoindolines, which are of potential interest for applications in natural product synthesis and exhibit tunable blue-to-green fluorescence properties.

About 3-Pyridinecarboxaldehyde, If you have any questions, you can contact Leijendekker, LH; Weweler, J; Leuther, TM; Kratz, D; Streuff, J or concate me.. Product Details of 500-22-1

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

In 2021.0 POLYHEDRON published article about TRANSITION-METAL-COMPLEXES; EFFECTIVE CORE POTENTIALS; GROWTH-FACTOR RECEPTOR; THIOSEMICARBAZONE DERIVATIVES; BIOLOGICAL-ACTIVITY; ANTIPROLIFERATIVE ACTIVITY; COPPER(II) COMPLEXES; LIGANDS; NICKEL(II); ANTITUMOR in [Poladian, Qumars; Ilhan-Ceylan, Berat; Kurt, Yasemin] Istanbul Univ Cerrahpasa, Engn Fac, Dept Chem, TR-34320 Istanbul, Turkey; [Sahin, Onur] Sinop Univ, Fac Hlth Sci, Dept Occupat Hlth & Safety, TR-57000 Sinop, Turkey; [Karakurt, Tuncay] Kirsehir Ahi Evran Univ, Fac Engn Architecture, Dept Chem & Proc Engn, TR-40100 Kirsehir, Turkey in 2021.0, Cited 69.0. The Name is 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride. Through research, I have a further understanding and discovery of 65-22-5. COA of Formula: C8H10ClNO3

A new unsymmetrical N2O2-tetradentate Schiff-base complex of zinc(II) was synthesized by the template reaction of pyridoxal-S-methylthiosemicarbazone and 2-hydroxy-4-methoxy-benzaldehyde as starting compounds. S-methylthiosemicarbazone (1) and zinc(II) complex [Zn(L)CH3OH] ( 2) were characterized by elemental analysis, FT-IR, UV-visible, H-1, and C-13 NMR spectra. The molecular structure of the complex (2) was determined by single crystal X-ray diffraction technique. The structure consists of a distorted square-pyramidal geometry around the central metal, Zn(II). Quantum chemical calculations were carried out using density functional theory DFT/B3LYP, 6-31G (d), and LanL2DZ basis sets for theoretical characterization of the compounds. The experimental and theoretical data were compared comprehensively. The potential energy distribution (PED) analysis was performed for the assignment of vibration frequencies. In order to support in vitro studies, molecular docking studies have been carried out so that the title compound can be an inhibitor of Epidermal Growth Factor Receptor (1 m17), and the relationship between calculated HOMO energies and docking studies has been examined. In addition, the total antioxidant capacity (as TEAC value) and free radical scavenging activity of the compounds were determined by Cupric Reducing Antioxidant Capacity (CUPRAC) and 1,1-diphenyl-2-picryl hydrazyl (DPPH) methods, respectively. (C) 2021 Elsevier Ltd. All rights reserved.

COA of Formula: C8H10ClNO3. About 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride, If you have any questions, you can contact Poladian, Q; Sahin, O; Karakurt, T; Ilhan-Ceylan, B; Kurt, Y or concate me.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem