Category: pyridine-derivatives

Wandas, M.; Lorenc, J.; Kucharska, E.; Maczka, M.; Hanuza, J. published the artcile< Molecular structure and vibrational spectra of 3 (or 4 or 6)-methyl-5-nitro-2-pyridinethiones: FT-IR, FT-Raman and DFT quantum chemical calculations>, Synthetic Route of 22280-62-2, the main research area is structure vibrational spectra methylnitropyridinethione FT IR Raman DFT quantum.

IR and Raman spectra (RS) of polycrystalline 3-(or 4 or 6)-methyl-5-nitro-2-pyridinethione were measured and analyzed by d. functional theory (DFT) quantum chem. calculations The B3LYP/6-311G(2d,2p) approach was applied for both the thiol and thione tautomers due to the possibility of the formation of these two thiole forms. Mol. structures of these compounds were optimized starting from different mol. geometries of the thiol group and thione group. Two conformations of the 2-mercaptopyridine, trans and cis, were taken into account. The studied compounds appear in the solid state in the thione form. The effect of the hydrogen-bond formation in the studied compounds was considered.

Journal of Raman Spectroscopy published new progress about Conformation. 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Synthetic Route of 22280-62-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Neranon, Kitjanit; Alberch, Laura; Ramstroem, Olof published the artcile< Design, Synthesis and Self-Assembly of Functional Amphiphilic Metallodendrimers>, HPLC of Formula: 366-18-7, the main research area is self assembly functional amphiphilic metallodendrimers decomplexation; amphiphiles; coordination; metallodendrimers; nanomaterials; self-assembly; supramolecular systems.

A new family of alkynylated, amphiphilic dendrimers consisting of amidoamine linkers connected to 5,5′-functionalized 2,2′-bipyridine cores has been developed and evaluated in the formation of metallodendrimers of different generations and in self-assembly protocols. A convergent synthetic strategy was applied to provide dumbbell-shaped amphiphilic dendrimers, where the 2,2′-bipyridine cores could be coordinated to FeII centers to afford corresponding metallodendrimers. The ability of the metallic- and non-metallic dendritic structures to self-assemble into functional supramol. aggregates were furthermore evaluated in aqueous solution Spherical aggregates with sizes of a few hundred nanometers were generally produced, where controlled disassembly of the metallodendrimers through decomplexation could be achieved.

ChemistryOpen published new progress about Alkynylation. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rasina, Dace; Stakanovs, Georgijs; Kanepe-Lapsa, Iveta; Bobrovs, Raitis; Jaudzems, Kristaps; Jirgensons, Aigars published the artcile< Synthesis of 2-aminopyridopyrimidinones and their plasmepsin I, II, IV inhibition potency>, Reference of 870997-85-6, the main research area is aminopyridopyrimidinone preparation antimalarial SAR.

2-Aminoquinazolin-4(3H)-one-based inhibitors, 2-aminopyrido[2,3-d]-, -[3,2-d]-, and -[4,3-d]pyrimidin-4(3H)-ones beared subpocket-specific substituents at position 7 were prepared and tested for their Plm I, II, IV inhibition potency. The position of the nitrogen atom in 2-aminopyridopyrimidinones played significant role in the inhibitory potency against Plms. Pyrido[2,3-d]pyrimidin-4(3H)-one derivatives showed poor inhibitory potency against Plms I, II, IV irresp. of the substituent at position 7. However, pyrido[4,3-d]pyrimidin-4(3H)-ones and pyrido[3,2-d]pyrimidin-4(3H)-ones were more appropriate scaffolds for Plm inhibitor development. Particularly, 2-amino-7-[4-(3-phenylpropyl)phenyl]-3-[(tetrahydrofuran-2-yl)methyl]pyrido[3,2-d]pyrimidin-4(3H)-one showed very high potency against Plm IV subtype and high selectivity against human aspartic protease, cathepsin D.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about Antimalarials. 870997-85-6 belongs to class pyridine-derivatives, and the molecular formula is C6H5BrN2O2, Reference of 870997-85-6.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gui, Jianzhou; Cong, Xiaohui; Liu, Dan; Zhang, Xiaotong; Hu, Zhide; Sun, Zhaolin published the artcile< Novel Bronsted acidic ionic liquid as efficient and reusable catalyst system for esterification>, Product Details of C9H13NO3S, the main research area is Bronsted acidic ionic liquid efficient reusable catalyst system esterification.

Under mild conditions and without any addnl. organic solvent, esterification of alcs. by carboxylic acids could be carried out in three new halogen-free Bronsted acidic ionic liquids, 1-(4-sulfonic acid) butyl-3-methylimidazolium hydrogen sulfate, 1-(4-sulfonic acid) butylpyridinium hydrogen sulfate and N-(4-sulfonic acid)butyl triethylammonium hydrogen sulfate. Especially for esterification of ethanol by acetic acid, good conversion rate and high selectivity were obtained, and the liquid esters formed a sep. phase that was decanted. The ionic liquid could be reused after removal of water under vacuum.

Catalysis Communications published new progress about Bronsted acids Role: CAT (Catalyst Use), USES (Uses) (catalyst). 21876-43-7 belongs to class pyridine-derivatives, and the molecular formula is C9H13NO3S, Product Details of C9H13NO3S.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Garrett, Mark D.; Scott, Robin; Sheldrake, Gary N.; Dalton, Howard; Goode, Paul published the artcile< Biotransformation of substituted pyridines with dioxygenase-containing microorganisms>, Product Details of C5H4ClNO, the main research area is toluene dioxygenase substituted pyridine oxidation.

A series of 2-, 3- and 4-substituted pyridines was metabolized using the mutant soil bacterium Pseudomonas putida UV4 which contains a toluene dioxygenase (TDO) enzyme. The regioselectivity of the biotransformation in each case was determined by the position of the substituent. 4-Alkylpyridines were hydroxylated exclusively on the ring to give the corresponding 4-substituted 3-hydroxypyridines, while 3-alkylpyridines were hydroxylated stereoselectively on C-1 of the alkyl group with no evidence of ring hydroxylation. 2-Alkylpyridines gave both ring and side-chain hydroxylation products. Chloro- and bromo-substituted pyridines, and pyridine itself, while being poor substrates for P. putida UV4, were converted to some extent to the corresponding 3-hydroxypyridines. These unoptimized biotransformations are rare examples of the direct enzyme-catalyzed oxidation of pyridine rings and provide a novel synthetic method for the preparation of substituted pyridinols. Evidence for the involvement of the same TDO enzyme in both ring and side-chain hydroxylation pathways was obtained using a recombinant strain of Escherichia coli (pKST11) containing a cloned gene for TDO. The observed stereoselectivity of the side-chain hydroxylation process in P. putida UV4 was complicated by the action of an alc. dehydrogenase enzyme in the organism which slowly leads to epimerization of the initial (R)-alc. bioproducts by dehydrogenation to the corresponding ketones followed by stereoselective reduction to the (S)-alcs.

Organic & Biomolecular Chemistry published new progress about Oxidation, regioselective. 96630-88-5 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, Product Details of C5H4ClNO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Campos, Debora L.; Machado, Ignacio; Ribeiro, Camila M.; Gambino, Dinorah; Pavan, Fernando R. published the artcile< Bactericidal effect of pyridine-2-thiol 1-oxide sodium salt and its complex with iron against resistant clinical isolates of Mycobacterium tuberculosis>, Category: pyridine-derivatives, the main research area is Mycobacterium antibacterial pyridine thiol oxide sodium salt.

We determined the activity of pyridine-2-thiol 1-oxide sodium salt (Na mpo) and its complex with iron [Fe(mpo)3] against Mycobacterium tuberculosis. The compounds were tested against a standard strain of M. tuberculosis H37Rv (ATCC 27294), with minimal inhibitory concentrations (MIC90) of 7.20 and 1.07 μM to Na mpo and [Fe(mpo)3], resp., and against 3 clin. isolates with different genotypic profiles, with MIC values ranging 0.74-6.52 and 0.30-2.25 μM to Na mpo and [Fe(mpo)3], resp. [Fe(mpo)3] was more effective against susceptible strains but both compounds were effective in inhibiting MDR and XDR-TB clin. strains. The profile activity was determined through the methodol. of a time-kill curve against standard and clin. strains of M. tuberculosis. Time-kill studies indicated that Na mpo had an early bactericidal activity against H37Rv and clin. isolates, with sterilizing effects observed in 5 and 7 days, resp., at its MIC90. The anti MDR and XDR-M. tuberculosis activity and bactericidal effect of Na mpo and [Fe(mpo)3] demonstrate their potential as new compounds for the treatment of tuberculosis.

Journal of Antibiotics published new progress about Mycobacterium tuberculosis. 3811-73-2 belongs to class pyridine-derivatives, and the molecular formula is C5H4NNaOS, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kucharska, E.; Hanuza, J.; Lorenc, J. published the artcile< Conformation of azo-bridge in 3,3'-dinitro-2,2'-azobipyridine and its 4,4'(or 5,5' or 6,6')-dimethyl-derivatives: Vibrational studies and DFT quantum chemical calculations>, Product Details of C6H5FN2O2, the main research area is conformation azo bridge dinitroazobipyridine dimethylderivative vibrational DFT quantum; Azopyridines; IR and Raman spectra; Methyl and nitro groups; Quantum chemical calculations; Vibrational characteristics of the azo-bond.

Syntheses of 3,3′-dinitro-2,2′-azobipyridine and 4,4′ (or 5,5′ or 6,6′)-dimethyl-3,3′-dinitro-2,2′-azobipyridine were described. Mol. structures of these compounds were determined and compared, to the basic compound, azobipyridine, reported by us earlier. The conformation of the azo-bond and other structural data are discussed in terms of substitution place of Me chromophore. FTIR and Raman spectra of these compounds were measured and analyzed. The 6-311G (2d,2p) basis set with the B3LYP functional were used to discuss the space conformation and dynamics of the studied compounds

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Chromophores. 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Product Details of C6H5FN2O2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Goldberg, Frederick W.; Finlay, M. Raymond V.; Ting, Attilla K. T.; Beattie, David; Lamont, Gillian M.; Fallan, Charlene; Wrigley, Gail L.; Schimpl, Marianne; Howard, Martin R.; Williamson, Beth; Vazquez-Chantada, Mercedes; Barratt, Derek G.; Davies, Barry R.; Cadogan, Elaine B.; Ramos-Montoya, Antonio; Dean, Emma published the artcile< The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor>, Recommanded Product: 6-Amino-3-nitro-2-picoline, the main research area is AZD7648 preparation DNA protein kinase inhibitor cancer.

DNA-PK is a key component within the DNA damage response, as it is responsible for recognizing and repairing double-strand DNA breaks (DSBs) via non-homologous end joining. Historically it has been challenging to identify inhibitors of the DNA-PK catalytic subunit (DNA-PKcs) with good selectivity vs. the structurally related PI3 (lipid) and PI3K-related protein kinases. We screened our corporate collection for DNA-PKcs inhibitors with good PI3 kinase selectivity, identifying compound 1. Optimization focused on further improving selectivity while improving phys. and pharmacokinetic properties, notably co-optimization of permeability and metabolic stability, to identify compound 16 (AZD7648). Compound 16 had no significant off-target activity in the protein kinome and only weak activity vs. PI3Kα/γ lipid kinases. Monotherapy activity in murine xenograft models was observed, and regressions were observed when combined with inducers of DSBs (doxorubicin or irradiation) or PARP inhibition (olaparib). These data support progression into clin. studies (NCT03907969).

Journal of Medicinal Chemistry published new progress about Antitumor agents (potential as). 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 6-Amino-3-nitro-2-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Patel, P. N.; Desai, D. H.; Patel, N. C. published the artcile< Novel Terpyridine Derivatives of Benzothiazole and Copper(II) Complex: Synthesis and Spectral Studies>, Application In Synthesis of 350-03-8, the main research area is crystal structure copper benzothiazolylterpyridine complex; benzothiazolylterpyridine preparation copper complex.

Novel terpyridine derivatives of benzothiazole were synthesized by simple multicomponent 1-pot reaction of benzothiazole-2-carbaldehyde, ammonium hydroxide, and isomeric acetyl pyridines with isolated yields of 92-98%. All the prepared derivatives were characterized by NMR, IR, and high-resolution mass spectra. A Cu(II) complex was prepared selectively from the terpyridine derivative obtained from 2-acetylpyridine and was characterized by single-crystal x-ray anal. UV-visible spectra were recorded for all the synthesized compounds

Russian Journal of Organic Chemistry published new progress about Crystal structure. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application In Synthesis of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem