Category: 19346-45-3

Sasiadek, Wojciech; Bryndal, Iwona; Lis, Tadeusz; Wandas, Maria; Hanuza, Jerzy published the artcile< Synthesis and physicochemical properties of the methyl-nitro-pyridine-disulfide: X-ray, NMR, electron absorption and emission, IR and Raman studies and quantum chemical calculations>, Computed Properties of 19346-45-3, the main research area is methyl nitro pyridine disulfide preparation crystal structure IR NMR.

The methyl-nitro-pyridine-disulfide derivative [2,2′-disulfanodiylbis(6-metyl-3-nitropyridine)] was synthesized and characterized by means of structural and spectroscopic measurements. On the basis of X-ray diffraction studies, it was found that the studied compound crystallizes in the centrosym. monoclinic space group P21/n (Z = 2). The disulfide C-S-S-C bridge links two identical fragments formed by pyridine rings substituted with Me and nitro groups. Such a structure was confirmed by 1H and 13C NMR studies as well as IR, Raman, UV-VIS and emission spectra. Quantum chem. DFT calculations were applied in the anal. of the obtained results. The vibrational characteristics were reported and dynamical properties of this moiety were discussed. A full set of the normal modes characteristic for the disulfide bridge was identified and assigned to the resp. IR and Raman bands. The results of structural and spectroscopic studies were used to find the dependence between the conformation of the Φ-S-S-Φ system and its optic properties. The exptl. electron and emission spectra were analyzed in terms of the calculated singlet and triplet states that allowed assigning the unique spectral pattern originating from the electrons of the C-S-S-C bridge system.

Journal of Molecular Structure published new progress about Aromatic compounds, disulfides Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Computed Properties of 19346-45-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Talik, Tadeusz; Talik, Zofia published the artcile< Synthesis of some sulfo derivatives of pyridine>, Recommanded Product: 2-Fluoro-6-methyl-3-nitropyridine, the main research area is pyridine nitro sulfo; fluoropyridine sulfurization; sulfide pyridyl oxidation.

Fluoropyridine I (R = F, NO2 in 3 or 6 positions, Me in 3,4,5,6-position) were treated with MeSH and EtSH to give I (R = MeS, EtS), which were oxidized to give I (R = MeSO2, EtSO2).

Polish Journal of Chemistry published new progress about 19346-45-3. 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Recommanded Product: 2-Fluoro-6-methyl-3-nitropyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Xia, Chunnian; Yao, Zhengguang; Xu, Lijuan; Zhang, Wannian; Chen, Haihu; Zhuang, Chunlin published the artcile< Structure-based bioisosterism design of thio-benzoxazepinones as novel necroptosis inhibitors>, Reference of 19346-45-3, the main research area is necroptosis bioisosterism design thiobenzoxazepinones; Bioisosterism; Chirality; Necroptosis; Thio-benzoxazepinone.

Necroptosis is reported to play a critical role in contributing to a variety of human pathologies. The benzoxazepinone GSK′772 is a potent necroptosis inhibitor optimized using a hit from a DNA-encoded library, which is currently in phase II clin. trials for psoriasis, rheumatoid arthritis, and ulcerative colitis. In the present study, the bioisosterism strategy was applied to replace the amide and benzene ring of GSK′772 based on the co-crystal structure of GSK′772 with its binding target RIPK1. As a result, the novel thio-benzoxazepinones exhibited higher anti-necroptosis activity in a human HT-29 cell necroptosis model. The effect on anti-necroptosis activity by the chirality was significantly reduced in the thio-benzoxazepinones, which was explained by the ligand conformation calculation Among these analogs, compound 11 (S) and 12 (R) specifically inhibited necroptosis rather than apoptosis with EC50 values of 2.8 and 22.6 nM. They blocked necrosome formation by inhibiting the phosphorylation of RIPK1, RIPK3 and MLKL in necroptotic cells. Collectively, the highly potent thio-benzoxazepinones represent promising lead structures for further development of necroptosis-related diseases.

European Journal of Medicinal Chemistry published new progress about Cell survival. 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Reference of 19346-45-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Talik, Tadeusz; Talik, Zofia published the artcile< 2-Fluoronitro-derivatives of pyridine and picolines>, Name: 2-Fluoro-6-methyl-3-nitropyridine, the main research area is pyridine fluoro nitro; picoline fluoro nitro; diazotization aminopyridine.

6-Fluoro derivatives from 4-nitro- and 3,5- and 3,4-dinitropyridine, 3- and 5-nitro- and 3,5-dinitro-4-picoline, 3- and 5-nitro- and 3,5-dinitro-2-picoline, and 5-nitro-3-picoline as well as 2-fluoro-5-nitro-3-picoline were prepared in 52.5-85% yields by diazotization of the corresponding amino derivatives in 65% HF.

Roczniki Chemii published new progress about 19346-45-3. 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Name: 2-Fluoro-6-methyl-3-nitropyridine.

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

Kucharska, E.; Michalski, J.; Sasiadek, W.; Talik, Z.; Bryndal, I.; Hanuza, J. published the artcile< Vibrational spectra, crystal structure, DFT quantum chemical calculations and conformation of the hydrazo - bond in 6-methyl-3-nitro-2-(2-phenylhydrazinyl)pyridine>, Computed Properties of 19346-45-3, the main research area is crystal structure methylnitro phenylhydrazinyl pyridine; vibrational spectra ethylnitro phenylhydrazinyl pyridine; DFT ethylnitro phenylhydrazinyl pyridine.

The crystal and mol. structures of 6-methyl-3-nitro-2-(2-phenylhydrazinyl)pyridine (6-methyl-3-nitro-2-phenylhydrazopyridine) have been determined by X-ray diffraction and quantum chem. DFT anal. The crystal is monoclinic, space group C2/c, with Z = 8 formula units in the elementary unit cell of dimensions a = 16.791(4), b = 6.635(2), c = 21.704(7) Å, β = 100.54(3)°. The mol. consists of two nearly planar pyridine subunits. A conformation of the linking hydrazo-bridge CNHNHC is bend and the dihedral angle between the planes of the Ph and pyridine rings is 88.2(5)°. The hydrogen bonding of the type NH···N and possibly also CH···O favors a dimer formation in the crystal structure. The dimers are further linked by a NH···O hydrogen bond, so forming a layer parallel to the ab plane. The mol. structure of the studied compound has been determined using the DFT B3LYP/6-311G(2d,2p) approach and compared to that derived from X-ray studies. The IR and Raman wavenumbers have been calculated for the optimized geometry of a possible monomer structural model but the possibility of the dimer formation through the NH···N hydrogen bond has also been considered. The structural and vibrational properties of the intra-mol. NH···O interaction are described.

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Moreau, Robert J.; Skepper, Colin K.; Appleton, Brent A.; Blechschmidt, Anke; Balibar, Carl J.; Benton, Bret M.; Drumm, Joseph E.; Feng, Brian Y.; Geng, Mei; Li, Cindy; Lindvall, Mika K.; Lingel, Andreas; Lu, Yipin; Mamo, Mulugeta; Mergo, Wosenu; Polyakov, Valery; Smith, Thomas M.; Takeoka, Kenneth; Uehara, Kyoko; Wang, Lisha; Wei, Jun-Rong; Weiss, Andrew H.; Xie, Lili; Xu, Wenjian; Zhang, Qiong; de Vicente, Javier published the artcile< Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria>, Computed Properties of 19346-45-3, the main research area is triazolopyrimidinone preparation phosphopantetheine adenylyltransferase inhibitory activity; azabenzimidazole preparation phosphopantetheine adenylyltransferase inhibitory activity.

The discovery and development of new antibiotics capable of curing infections due to multidrug-resistant and pandrug-resistant Gram-neg. bacteria is a major challenge with fundamental importance to our global healthcare system. Part of our broad program at Novartis to address this urgent, unmet need includes the search for new agents that inhibit novel bacterial targets. Here we report the discovery and hit-to-lead optimization of new inhibitors of phosphopantetheine adenylyltransferase (PPAT) from Gram-neg. bacteria. Utilizing a fragment-based screening approach, we discovered a number of unique scaffolds capable of interacting with the pantetheine site of E. coli PPAT and inhibiting enzymic activity, including triazolopyrimidinone. Structure-based optimization resulted in the identification of two lead compounds as selective, small mol. inhibitors of bacterial PPAT: triazolopyrimidinone I and azabenzimidazole II efficiently inhibited E. coli and P. aeruginosa PPAT and displayed modest cellular potency against the efflux-deficient E. coli ΔtolC mutant strain.

Journal of Medicinal Chemistry published new progress about Antibiotics. 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Computed Properties of 19346-45-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Application of 19346-45-3, The major producers of chemicals have been the Europe, Japan and China. Due to the growing call for a cleaner, greener environment, people will have to find innovative ways to maintain their relevance. Here is a compound 19346-45-3, name is 2-Fluoro-6-methyl-3-nitropyridine. This compound has unique chemical properties. The synthetic route is as follows.

General procedure: The dimethyl derivatives (4,4?, 5,5? or 6,6?) of 3,3?-dinitro-2,2?-azobipyridine were synthesized from the respective hydrazo-derivatives obtained previously from 3-nitro-4(or 5 or 6)-methyl-2-hydrazine-pyridine, respectively. Syntheses of these hydrazo derivatives were very similar to the synthesis of 3,3?-dinitro-2,2?-hydrazobipyridine. Instead of ethanol n-propanol was used and its mixtures were heated at boiling temperature for 30 min in the water bath. 2.52 g (0.015 mol) of 3-nitro-4(or 5 or 6)-methyl-2-hydrazine-pyridine were used to synthesis. The synthesized red?brown needle-like crystals of 4,4?-dimethyl-3,3?-dinitro-2,2?-hydrazobipyridine melt with decomposition at 255°C. The yield was 53.1percent. The synthesized brown needle-like crystals of 5,5?-dimethyl-3,3?-dinitro-2,2?-hydrazobipyridine melt with decomposition at 285°C. The yield was 54.0percent. The synthesized dark?brown needle-like crystals of 6,6?-dimethyl-3,3?-dinitro-2,2?-hydrazobipyridine melt with decomposition at 275°C. The yield was 51.0percent. 1 g of the obtained in this way 4,4?(or 5,5? or 6,6?)-3,3?-dinitro-2,2?-hydrazobipyridine was used to obtain respective azo derivatives in the same way as 3NAP. The synthesized orange needle-like crystals of 4,4?-dimethyl-3,3?-dinitro-2,2?-azobipyridine (4M3NAP) melt with decomposition at 260°C. The yield was 74.2percent. The synthesized orange needle-like crystals of 5,5?-dimethyl-3,3?-dinitro-2,2?-azobipyridine (5M3NAP) melt with decomposition at 256°C. The yield was 77.1percent. The synthesized orange powder of 6,6?-dimethyl-3,3?-dinitro-2,2?-azobipyridine (6M3NAP) melt with decomposition at 206°C. The yield was 80.3percent [51,52,54].

According to the analysis of related databases, 19346-45-3, the application of this compound in the production field has become more and more popular.

Reference:
Article; Kucharska; Hanuza; Lorenc; Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy; vol. 127; (2014); p. 370 – 380;,
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem