Tag: M.W=150-200

Bavetsias, Vassilios; Large, Jonathan M.; Sun, Chongbo; Bouloc, Nathalie; Kosmopoulou, Magda; Matteucci, Mizio; Wilsher, Nicola E.; Martins, Vanessa; Reynisson, Johannes; Atrash, Butrus; Faisal, Amir; Urban, Frederique; Valenti, Melanie; Brandon, Alexis de Haven; Box, Gary; Raynaud, Florence I.; Workman, Paul; Eccles, Suzanne A.; Bayliss, Richard; Blagg, Julian; Linardopoulos, Spiros; McDonald, Edward published the artcile< Imidazo[4,5-b]pyridine Derivatives As Inhibitors of Aurora Kinases: Lead Optimization Studies toward the Identification of an Orally Bioavailable Preclinical Development Candidate>, Quality Control of 188577-68-6, the main research area is imidazopyridine derivative arsenic inhibitor Aurora kinase orally bioavailable development.

Lead optimization studies using an imidazo[4,5-b]pyridinylpiperazine as the starting point led to a new class of imidazo[4,5-b]pyridine-based inhibitors of Aurora kinases that possessed the 1-benzylpiperazinyl motif at the 7-position, and displayed favorable in vitro properties. Cocrystn. of Aurora-A with a morpholinylmethylphenylimidazopyridinyl chlorobenzyl piperazine (CCT137444) provided a clear understanding into the interactions of this novel class of inhibitors with the Aurora kinases. Subsequent physicochem. property refinement by the incorporation of solubilizing groups led to the identification of 3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole (CCT137690)(I) which is a potent inhibitor of Aurora kinases (Aurora-A IC50 = 0.015±0.003 μM, Aurora-B IC50 = 0.025 μM, Aurora-C IC50 = 0.019 μM). I is highly orally bioavailable, and in in vivo efficacy studies it inhibited the growth of SW620 colon carcinoma xenografts following oral administration with no observed toxicities as defined by body weight loss.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 188577-68-6 belongs to class pyridine-derivatives, and the molecular formula is C5H4Cl2N2, Quality Control of 188577-68-6.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pegu, David published the artcile< Analysis of molecular structure, vibrational spectra and electronic properties of 2-amino-3-nitro-6-picoline by density functional methods>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is amino nitropicoline mol structure vibrational spectrum electronic property.

In the present study the geometrical parameters and vibrational spectroscopic properties of the compound 2-amino-3-nitro-6-picoline (2A3N6P) have been calculated by using Harteree-Fock and D. functional method (B3LYP) with 6-311++G(d,p) basis set. The calculated optimized structural parameters and the scaled frequencies are investigated and compared with earlier reported data. The complete vibrational assignment and anal. of the fundamental modes of the mol. were carried out. In addition, mol. electrostatic potential and total electron d. has been analyzed to investigate size, shape, charge d. distribution and site on chem. reactivity of the mol. Finally the Mullikan at. charges of the compound have been studied.

Pharma Chemica published new progress about Atomic charge. 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Deady, Leslie W.; Korytsky, Olga L.; Rowe, Jeffrey E. published the artcile< Substituent effects on the isomer ratios in the rearrangement of some 2- and 4-nitraminopyridines>, Category: pyridine-derivatives, the main research area is substituent effect rearrangement nitraminopyridine.

The preparation and rearrangement in 92% H2SO4 of I-III (R = H, Me, MeO, Br, Cl, CO2H) were investigated. The product isomer ratios can be explained by differential electronic stabilization of the appropriate σ complexes for aromatic nitration and steric effects seem relatively unimportant. Deuteration [3-D in I, R = Me] had no effect on the product distribution.

Australian Journal of Chemistry published new progress about Rearrangement. 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Xie, Wuchen; Wang, Meng; Yang, Siyu; Chen, Yadong; Feng, Jie; Huang, Yatian published the artcile< C-H chlorination of (hetero)anilines via photo/organo co-catalysis>, Computed Properties of 22961-45-1, the main research area is chloro aniline chemoselective preparation photochem; aniline carbon hydrogen chlorination catalyst tetra carbazolyl benzenedicarbonitrile chlorosuccinimide.

Herein, a photo-redox and organo co-catalyzed chlorination method for anilines to gave chloro-anilines ArNR1R2 [Ar = 4-ClC6H4, 3,4-di-Cl-5-FC6H2, 4-Cl-2,5-di-FC6H2, etc.; R1 = H, Me; R2 = H, Me, C(O)Me, Ph, pyrimidin-2-yl; R1R2 = (CH2)2N(CH3)(CH2)2] was disclose. This method had great substrate generality and excellent mono-chlorination selectivity. Another merit of this method was the late-stage modification of drug mols., which would be useful in medicinal chem.

Organic & Biomolecular Chemistry published new progress about Anilines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 22961-45-1 belongs to class pyridine-derivatives, and the molecular formula is C11H10N2, Computed Properties of 22961-45-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Babaev, Eugene V.; Rybakov, Victor B. published the artcile< Phenacylation of 6-methyl-beta-nitropyridin-2-ones and further heterocyclization of products>, SDS of cas: 22280-62-2, the main research area is betanitropyridinone phenacylation; phenacylpyridone heterocyclization; 8-nitro-5-RO-indolizines; Phenacylation of beta-nitropyridin-2-ones; oxazole-pyrrole ring transformation.

Reaction between the derivatives of 6-methyl-beta-nitropyridin-2-one and phenacyl bromides was studied, and the yields observed were extremely low. The pyridones were converted via chloropyridines to methoxyderivatives, which were N-phenacylated. N-Phenacyl derivatives of 4,6-dimethyl-5-nitropyridin-2-one under the action of base gave 5-hydroxy-8-nitroindolizine and under acidic conditions gave 5-methyl-6-nitrooxazole[3,2-a]pyridinium salt, which underwent recyclization with MeONa to 5-methoxy-8-nitroindolizine.

Molecules published new progress about Acylation. 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, SDS of cas: 22280-62-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Khlebnikov, Vladimir; Patel, Kalpesh; Zhou, Xiaojian; Reddy, M. Madhava; Su, Zhuoyi; Chiacchia, Fabrizio S.; Hansen, Henrik C. published the artcile< Synthesis of 2-aryl-4H-pyrano[2,3-b]pyridin-4-ones by a one-pot deprotection-cyclization reaction>, Category: pyridine-derivatives, the main research area is arylpyranopyridinone preparation deprotection cyclization.

Preparation of 2-aryl-4H-pyrano[2,3-b]pyridin-4-ones is reported. A one-pot, two-step process starting with substituted 2-alkoxynicotinates and acetophenones in the presence of pyridinium hydrochloride is used. The methodol. is compatible with a series of functional groups useful for the synthesis of second generation analogs, as part of our structure/activity relationship program. The method proved to be scalable (>100 g), allowing for efficient synthesis of material to support animal studies.

Tetrahedron published new progress about Flavonoids Role: SPN (Synthetic Preparation), PREP (Preparation). 876919-08-3 belongs to class pyridine-derivatives, and the molecular formula is C7H6FNO2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Buettelmann, Bernd; Alanine, Alexander; Bourson, Anne; Gill, Ramanjit; Heitz, Marie-Paule; Mutel, Vincent; Pinard, Emmanuel; Trube, Gerhard; Wyler, Rene published the artcile< 2-Styrylpyridines and 2-(3,4-dihydro-naphthalen-2-yl)pyridines as potent NR1/2B subtype selective NMDA receptor antagonists>, Application of C6H7BrN2, the main research area is styryl pyridine preparation NMDA receptor antagonist SAR; structure activity relationship NMDA receptor antagonist styryl pyridine; naphthalenyl pyridine preparation NMDA receptor antagonist SAR.

A series of 2-styryl-pyridines, e.g. I, and 2-(3,4-dihydro-naphthalen-2-yl)pyridines, e.g. II, was prepared and evaluated as NR1/2B subtype selective NMDA receptor antagonists. The SAR developed in this series resulted in the discovery of high affinity antagonists that are selective (vs. α1 and M1 receptors) and are active in vivo.

Chimia published new progress about NMDA receptor antagonists. 79055-59-7 belongs to class pyridine-derivatives, and the molecular formula is C6H7BrN2, Application of C6H7BrN2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dill, Ryan D.; Portillo, Romeo I.; Shepard, Samuel G.; Shores, Matthew P.; Rappe, Anthony K.; Damrauer, Niels H. published the artcile< Long-Lived Mixed 2MLCT/MC States in Antiferromagnetically Coupled d3 Vanadium(II) Bipyridine and Phenanthroline Complexes>, Product Details of C10H8N2, the main research area is antiferromagnetically Vanadium bipyridine phenanthroline complex; DFT Long Lived Mixed MLCT MC States; time resolved spectroscopy support spectroelectrochem computational; electronic spectroscopy Antiferromagnetic Vanadium Bipyridine Phenanthroline Complexes.

Exploration of [V(bpy)3]2+ and [V(phen)3]2+ (bpy = 2,2′-bipyridine; phen = 1,10-phenanthroline) using electronic spectroscopy reveals an ultrafast excited-state decay process and implicates a pair of low-lying doublets with mixed metal-to-ligand charge-transfer (MLCT) and metal-centered (MC) character. Transient absorption (TA) studies of the vanadium(II) species probing in the visible and near-IR, in combination with spectroelectrochem. techniques and computational chem., lead to the conclusion that after excitation into the intense and broad visible 4MLCT ← 4GS (ground-state) absorption band (ε400-700 nm = 900-8000 M-1 cm-1), the 4MLCT state rapidly (τisc < 200 fs) relaxes to the upper of two doublet states with mixed MLCT/MC character. Electronic interconversion (τ ~2.5-3 ps) to the long-lived excited state follows, which we attribute to formation of the lower mixed state. Following these initial dynamics, GS recovery ensues with τ = 430 ps and 1.6 ns for [V(bpy)3]2+ and [V(phen)3]2+, resp. This stands in stark contrast with isoelectronic [Cr(bpy)3]3+, which rapidly forms a long-lived doublet metal-centered (2MC) state following photoexcitation and lacks strong visible GS absorption character. 2MLCT character in the long-lived states of the vanadium(II) species produces geometric distortion and energetic stabilization, both of which accelerate nonradiative decay to the GS compared to [Cr(bpy)3]3+, where the GS and 2MC are well nested. These conclusions are significant because (i) long-lived states with MLCT character are rare in first-row transition-metal complexes and (ii) the presence of a 2MLCT state at lower energy than the 4MLCT state has not been previously considered. The spin assignment of charge-transfer states in open-shell transition-metal complexes is not trivial; when metal-ligand interaction is strong, low-spin states must be carefully considered when assessing reactivity and decay from electronic excited states. Metal-to-ligand charge-transfer (MLCT) states of vanadium(II) polypyridyl complexes are characterized by antiferromagnetic coupling, leading to exceptions to Hund′s rule of maximum multiplicity. Time-resolved spectroscopy, with support from spectroelectrochem. and computational studies, suggests mixing of the low-spin 2MLCT with doublet metal-centered states. This should be considered for the development of related complexes for photoredox catalysis. Inorganic Chemistry published new progress about Antiferromagnetic materials. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Product Details of C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kulkarni, Santosh S.; Newman, Amy Hauck published the artcile< Discovery of heterobicyclic templates for novel metabotropic glutamate receptor subtype 5 antagonists>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is quinoline benzothiazole preparation glutamate receptor antagonist SAR; pyridothiazole imidazopyridine preparation glutamate receptor antagonist SAR.

Investigation of a series of heterobicyclic compounds with essential pharmacophoric features of the metabotropic glutamate receptor 5 (mGluR5) antagonists MPEP and MTEP provided novel structural templates with sub-micromolar affinities at the mGluR5. Compound I showed antagonist activity (IC50 = 0.26 μM) in the functional assay measuring hydrolysis of phosphoinositide and may provide a new lead for further SAR investigation.

Bioorganic & Medicinal Chemistry Letters published new progress about Metabotropic glutamate receptors, group I, mGluR5 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Xinfeng; Liu, Huanhuan; Xie, Caixia; Zhou, Feiyu; Ma, Chen published the artcile< Terminal methyl as a one-carbon synthon: Synthesis of quinoxaline derivatives via radical-type transformation>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is pyrroloquinoxaline preparation; pyrrolylaniline carbon source carbon hydrogen activation oxidative cyclization iron; indoloquinoxaline preparation; indolylaniline carbon source carbon hydrogen activation oxidative cyclization iron.

An iron-promoted method for the construction of pyrrolo[1,2-a]quinoxaline derivatives I [R1 = H, 7-Me, 7-Br, 8-Cl, etc., R2 = H, Me, X, Y = CH, N] and indolo[1,2-a]quinaxaline derivatives II [R3 = H, 3-F, 2-OMe, etc., R4 = H, Me] was developed via sp3 C-H activation and oxidative cyclization of pyrrolyl-anilines/indolyl-anilines and various carbon sources. This method has many advantages including the availability of raw materials, simple operation, reaction efficiency, universal solvent applicability and wide substrate scope.

New Journal of Chemistry published new progress about Anilines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem