Tag: M.W=150-200

Lin, Qiao; Fu, Yue; Liu, Peng; Diao, Tianning published the artcile< Monovalent Nickel-Mediated Radical Formation: A Concerted Halogen-Atom Dissociation Pathway Determined by Electroanalytical Studies>, HPLC of Formula: 366-18-7, the main research area is monovalent Nickel Mediated radical; concerted Halogen Atom dissociation pathway electroanal.

The recent success of nickel catalysts in stereoconvergent cross-coupling and cross-electrophile coupling reactions partly stems from the ability of monovalent nickel species to activate C(sp3) electrophiles and generate radical intermediates. This electroanal. study of the commonly applied (bpy)Ni catalyst elucidates the mechanism of this critical step. Data rule out outer-sphere electron transfer and two-electron oxidative addition pathways. The linear free energy relationship between rates and the bond-dissociation free energies, the electronic and steric effects of the nickel complexes and the electrophiles, and DFT calculations support a variant of the halogen-atom abstraction pathway, the inner-sphere electron transfer concerted with halogen-atom dissociation This mechanism accounts for the observed reactivity of different electrophiles in cross-coupling reactions and provides a mechanistic rationale for the chemoselectivity obtained in cross-electrophile coupling over homocoupling.

Journal of the American Chemical Society published new progress about Computational chemistry. 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

Yakhontov, L. N.; Azimov, V. A.; Lapan, E. I. published the artcile< Reactivity of isomeric azaindoles>, HPLC of Formula: 23612-36-4, the main research area is indoles aza; pyridines; azaindoles; furopyridines; pyrrolopyridines; pyridines pyrrolo.

Treatment of the pyridine I (R = 6-Cl) with NH3 in EtOH 4 hrs. at 200° yielded 71.5% 5-azaindoline (II) (R = 6-Cl, R1 = H), m. 106-7° (EtOAc), b1·5 152-4°. The azabenzofuran III (R = 6-OH) heated 8 hrs. at 190° with 3 molar equivalents PhCH2NH2 yielded 72% II (R = 6-OH, R1 = CH2Ph), m. 187-8° (dioxane), transformed by heating 5 hrs. at 150° with POCl3 into II (R = 6-Cl, R1 = CH2Ph), m. 75-6° (EtOAc). This reduced over Pd-C gave II (R = R1 = H) (IV), m. 102-3° (C6H12), dehydrogenated by heating 15 min. (N atm.) with 9% Pd-C at 2 5-25° to yield 70.5% 5-azaindole (V), m. 109.5-10.0° (H2O). III (R = OH) heated 8 hrs. at 250° with PhNH2 gave 78.8% II (R = 6-OH, R1 = Ph), m. 215-16° (EtOH), converted via II (R = 6-Cl, R1 = Ph), m. 99-100° (EtOH) into II (R = H, R1 = Ph), m. 59-60° (petroleum ether) and dehydrogenated at 255-65° to yield 80.7% 1-phenyl-5-azaindole (VI), m. 58-9° (petroleum ether). Condensation of 2-methyl-3-nitropyridine with (CO2Et)2 in the presence of EtOK in C6H6 at 25° 24 hrs. and the product, 70% Et3-nitro-2-pyridylpyruvate, m. 126-7°, reduced in EtOH over 9% Pd-C gave quant. Et 4-azaindole-2-carboxylate, m. 173-3.5°, saponified to 4-azaindole-2-carboxylic acid (VII), m. 302-3° (decomposition). Similarly, 2-methyl-3-nitro-6-ethoxypyridine, m. 39-40°, gave 58.8% Et 3-nitro-6-ethoxy-2-pyridylpyruvate, m. 131-2° (alc.), which gave 93% Et 5-ethoxy-4-azaindole-2-carboxylate, m. 148-9.5° (alc.) and then, via the corresponding acid, m. 300° (decomposition), 5-ethoxy-4-azaindole (VIII), m. 148-50°. Nitration, bromination, cyanomethylation and the Mannich reaction were used as electrolytic substitution reactions and carried out under conditions which had given the best yields for the corresponding 7-azaindole derivatives The cyanomethylated products were converted into azoindolyl-3-acetic acids. The Mannich reactions were carried out with 20% paraformaldehyde and 3 molar equivalents Me2NH.-HCl in refluxing BuOH; % yields and m.p. for the 3-substituted products were tabulated. π-Electron d. effects were discussed.

Tetrahedron Letters published new progress about Reactivity (chemical). 23612-36-4 belongs to class pyridine-derivatives, and the molecular formula is C7H5BrN2, HPLC of Formula: 23612-36-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Carnizello, Andrea P.; Alves, Jacqueline M.; Pereira, Daiane E.; Campos, Jacqueline C. L.; Barbosa, Marilia I. F.; Batista, Alzir A.; Tavares, Denise C. published the artcile< Study of the cytotoxic and genotoxic potential of the carbonyl ruthenium(II) compound, ct-[RuCl(CO)(dppb)(bipy)]PF6 [dppb = 1,4-bis(diphenylphosphino)butane and bipy = 2,2′-bipyridine], by in vitro and in vivo assays>, SDS of cas: 366-18-7, the main research area is cytotoxicity genotoxicity carbonyl ruthenium assay; carbonyl ruthenium complexes; comet assay; genotoxic potential; micronucleus test.

Considering the promising previous results of ct-[RuCl(CO)(dppb)(bipy)]PF6 (where dppb = 1,4-bis(diphenylphosphino)butane and bipy = 2,2′-bipyridine) as an antitumor agent, novel biol. assays evaluating its toxicogenic potential were performed. The genotoxicity of the compound was evaluated by the in vitro micronucleus test (V79, Chinese hamster lung fibroblasts; HepG2, hepatocellular carcinoma cells), in vivo bone marrow micronucleus test and comet assay in hepatocytes (Swiss mice). The animals were treated with 0.63, 1.25, 2.5 and 5.0 mg/kg body weight (bw) of the compound Neg. (water) and pos. (cisplatin, 1.5 mg/kg bw; Me methanesulfonate, 40 mg/kg bw) controls were included. The parameters considered in the comet assay were the percentage of tail DNA, tail moment and tail length. The results of the in vitro micronucleus tests showed the absence of genotoxicity in V79 cells, while the compound was genotoxic in HepG2 cells at a concentration of 1.25 microM. In the in vivo micronucleus test, the compound was not genotoxic at the different doses evaluated. In the comet assay, only the dose of 5.0 mg/kg bw resulted in a significant increase in the frequency of DNA damage in hepatocytes when compared to the neg. control. The genotoxic effect observed in HepG2 cells and in the liver comet assay indicates that the compound was metabolized by hepatic cells.

Journal of Applied Toxicology published new progress about Analysis. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, SDS of cas: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wu, Gaorong; Fu, Xiaopan; Wang, Yangyang; Deng, Kezuan; Zhang, Lili; Ma, Tao; Ji, Yafei published the artcile< C-H Borylation of Diphenylamines through Adamantane-1-carbonyl Auxiliary by BBr3>, Category: pyridine-derivatives, the main research area is ortho carbon hydrogen bond borylation phenylamine adamantanecarbonyl directed; isotope effect borylation kinetics phenylamine adamantanecarbonyl directed; boronate ester phenylamine derivative preparation reactivity; crystal structure chlorophenyl dioxaborolanylphenyl adamantanecarboxamide; mol structure chlorophenyl dioxaborolanylphenyl adamantanecarboxamide.

A method for ortho-C-H borylation of diphenylamines using BBr3 as the B source is reported. The noncatalytic adamantane-1-carbonyl directed reaction exhibited site exclusivity and good functional group tolerance. Generally, the borylation occurred at the more electron-rich aromatic ring and the borylated products could be converted to various useful intermediates. Besides, the derived arylation and removal of auxiliary of the product could be achieved in a 1-pot fashion.

Organic Letters published new progress about Addition reaction kinetics (borylation). 22961-45-1 belongs to class pyridine-derivatives, and the molecular formula is C11H10N2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Yang, Jiao; Chen, Kai; Zhang, Guo; Yang, Qiu-Yuan; Li, Yue-Shan; Huang, Shen-Zhen; Wang, Yan-Lin; Yang, Wei; Jiang, Xiao-Juan; Yan, Heng-Xiu; Zhu, Jing-Qiang; Xiang, Rong; Luo, You-Fu; Li, Wei-Min; Wei, Yu-Quan; Li, Lin-Li; Yang, Sheng-Yong published the artcile< Structural optimization and structure-activity relationship studies of N-phenyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine derivatives as a new class of inhibitors of RET and its drug resistance mutants>, Application In Synthesis of 22280-62-2, the main research area is phenyldihydro pyrimido oxazinamine derivative preparation RET inhibitor cancer; Drug resistance mutant; Medullary thyroid cancer; RET kinase; Structure-activity relationship.

The RET tyrosine kinase is an important therapeutic target for medullary thyroid cancer (MTC), and drug resistance mutations of RET, particularly V804M and V804L, are a main challenge for the current targeted therapy of MTC based on RET inhibitors. In this investigation, we report the structural optimization and structure-activity relationship studies of N-phenyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine derivatives as a new class of RET inhibitors. Among all the obtained kinase inhibitors, 1-(5-(tert-butyl)isoxazol-3-yl)-3-(4-((6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-4-yl)amino)phenyl)urea (17d) is a multi-kinase inhibitor and potently inhibits RET and its drug resistance mutants. It showed IC50 (half maximal inhibitory concentration) values of 0.010 μM, 0.015 μM, and 0.009 μM against RET-wild-type, RET-V804M, and RET-V804L, resp. 17d displayed significant anti-viability potencies against various RET-driving tumor cell lines. In a xenograft mouse model of NIH3T3-RET-C634Y, 17d exhibited potent in vivo anti-tumor activity, and no obvious toxicity was observed Mechanisms of action were also investigated by Western blot and immunohistochem. assays. Collectively, 17d could be a promising agent for the treatment of MTC, hence deserving a further investigation.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Application In Synthesis of 22280-62-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Jun-Xia; Du, Zhong-Xiang; Pan, Qiu-Yue; Zhang, Lu-Lu; Liu, Duo-Li published the artcile< The first 3,5,6-trichloropyridine-2-oxyacetate bridged manganese coordination polymer with features of π···π stacking and halogen···halogen interactions: Synthesis, crystal analysis and magnetic properties>, Electric Literature of 366-18-7, the main research area is trichloropyridineoxyacetate bridged manganese bipyridine coordination polymer preparation crystal structure; pi stacking halogen interaction crystal structure magnetic property manganese.

A new coordination polymer [Mn(3,5,6-tcpa)2(2,2′-bipy)]n (1) has been synthesized by the hydrothermal reaction of manganese sulfate hydrate with 3,5,6-trichloropyridine-2-oxyacetic acid (3,5,6-Htcpa) and 2,2′-bipyridine (2,2′-bipy) coligands. The x-ray single-crystal diffraction anal. shows that the MnII center is in deformed octahedral geometry bonded by two pyridyl nitrogen atoms of 2,2′-bipy mol. and four carboxy oxygen atoms of four different 3,5,6-tcpa- ligands. The 3,5,6-tcpa- anions play as bidentate bridging-μ2 linkers and connect neighboring MnII ions together to form the 1D double-stranded chain structure of 1, which displays interesting chair form [Mn2(COO)2] eight-membered rings. 1 Is further assembled into 3D network by the co-effects of π···π stacking and Cl···Cl halogen bonds interactions. In addition, the magnetic characterizations indicated weak antiferromagnetic coupling between MnII centers for 1.

Inorganica Chimica Acta published new progress about Antiferromagnetic exchange. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Electric Literature of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Grabner, Sabina; Modec, Barbara published the artcile< Zn(II) curcuminate complexes with 2,2′-bipyridine and carboxylates>, Recommanded Product: 2,2′-Bipyridine, the main research area is Zn(II) complexes; crystal structures; curcumin; stability.

Two novel zinc(II) compounds with curcuminate (abbreviated as cur-), [Zn(CH3COO)(cur)(bpy)] (1)·CH3OH·2H2O (bpy = 2,2′-bipyridine) and [Zn(PhCOO)(cur)(bpy)] (2)·CH3OH, have been synthesized and characterized. Their composition has been determined by single-crystal X-ray structure anal. Complexes 1 and 2 are similar: in both a five-fold coordination environment of zinc(II) consists of a monodentate carboxylate, a chelating bidentate 2,2′-bipyridine, and curcuminate, which is bound via a deprotonated 1,3-dione moiety. In 1, 2,2′-bipyridine nitrogen atoms and curcuminate oxygen atoms form the base of a square pyramid, whereas the acetate oxygen occupies its apex. The O3N2 donor set in 2 defines a polyhedron which more closely resembles a trigonal bipyramid. The packing in the crystal lattices of both compounds is governed by hydrogen-bonds. Complexes 1 and 2 display higher stability than curcumin in buffered media at pH = 7.0, however, the degradation of coordinated cur- is comparable to that of yellow pigment curcumin (curH) when the pH is raised to 7.2. Both complexes 1 and 2 in DMSO exhibit fluorescence with Stokes shifts of 5367 and 4634 cm-1, resp.

Molecules published new progress about 366-18-7. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Recommanded Product: 2,2′-Bipyridine.

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

Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng published the artcile< Copper(II) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity>, Product Details of C10H8N2, the main research area is antitumor agent copper dipyridyl pyrazolone salicylidene derived complex; crystal structure copper dipyridyl pyrazolone salicylidene derived complex preparation; electrochem redox potential copper dipyridyl pyrazolone salicylidene derived complex.

Three mixed-ligand Cu(II) complexes [Cu(L)(bpy)] (1), [Cu(L)(phen)] (2) and [Cu(L)(dpq)]·CHCl3 (3) have been synthesized and fully characterized, where H2L = N-(1-phenyl-3-methyl-4-(4-fluorobenzoyl)-5-pyrazolone)-2-salicylidene hydrazide, bpy = 2,2′-bipyridine, phen = 1,10-phenanthroline and dpq = dipyrido[3,2-d:2′,3′-f]quinoxaline. Single crystal x-ray diffraction anal. revealed that complexes 1-3 have mononuclear structure and the Cu(II) ions are located in a five-coordinated distorted square pyramidal geometry. The interaction of the compounds with herring sperm DNA has been studied by absorption titration, ethidium bromide displacement experiments and electrochem. studies. All the compounds could interact intercalatively with DNA, and complex 3 shows the highest DNA binding ability, followed by 2, 1 and H2L. Complexes 1-3 exhibit excellent cytotoxicity against cervical cancer HeLa cells and human esophageal cancer Eca-109 cells. Complex 3 displays the best activity for both cancer cell lines, and the IC50 values are 4.37 ± 0.08 μM and 3.68 ± 0.14 μM for HeLa and Eca-109 cells, resp., which are ∼13 times lower than that of the com. antitumor drug cisplatin. Moreover, complex 3 dose-dependently induces Eca-109 cell apoptosis characterized by nuclear morphol. changes and increased Annexin V+ cells, suggesting that complex 3 inhibited the proliferation of Eca-109 cells by induction of apoptosis. In conclusion, the mixed-ligand complex 3 might be a potential antitumor drug.

New Journal of Chemistry published new progress about Antitumor agents. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Product Details of C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dharuman, Suresh; Wallace, Miranda J.; Reeve, Stephanie M.; Bulitta, Jurgen B.; Lee, Richard E. published the artcile< Synthesis and Structure-Activity Relationship of Thioacetamide-Triazoles against Escherichia coli>, Electric Literature of 387350-39-2, the main research area is thioacetamide triazole preparation SAR antibacterial; 1,2,3-triazoles; antibiotics; antimetabolite; gram-negative active compounds.

Infections due to Gram-neg. bacteria are increasingly dangerous due to the spread of multi-drug resistant strains, emphasizing the urgent need for new antibiotics with alternative modes of action. Authors have previously identified a novel class of antibacterial agents, thioacetamide-triazoles, using an antifolate targeted screen and determined their mode of action which is dependent on activation by cysteine synthase A. Herein, authors report a detailed examination of the anti-E. coli structure-activity relationship of the thioacetamide-triazoles. Analogs of the initial hit compounds were synthesized to study the contribution of the aryl, thioacetamide, and triazole sections. A clear structure-activity relationship was observed generating compounds with excellent inhibition values. Substitutions to the aryl ring were generally best tolerated, including the introduction of thiazole and pyridine heteroaryl systems. Substitutions to the central thioacetamide linker section were more nuanced; the introduction of a Me branch to the thioacetamide linker substantially decreased antibacterial activity, but the isomeric propionamide and N-benzamide systems retained activity. Changes to the triazole portion of the mol. dramatically decreased the antibacterial activity, further indicating that 1,2,3-triazole is critical for potency. From these studies, authors have identified new lead compounds with desirable in-vitro ADME properties and in-vivo pharmacokinetic properties.

Molecules published new progress about Acetamides Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses) (Thio). 387350-39-2 belongs to class pyridine-derivatives, and the molecular formula is C7H7F3N2, Electric Literature of 387350-39-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem