Month: October 2022

Takale, Balaram S.; Thakore, Ruchita R.; Handa, Sachin; Gallou, Fabrice; Reilly, John; Lipshutz, Bruce H. published the artcile< A new, substituted palladacycle for ppm level Pd-catalyzed Suzuki-Miyaura cross couplings in water>, Recommanded Product: 3-Chloro-2-methoxypyridine, the main research area is biarene preparation green chem; halide aryl boronic acid Suzuki Miyaura coupling palladium catalyst.

A newly engineered palladacycle that contains substituents on the biphenyl rings along with the ligand HandaPhos is especially well-matched to an aqueous micellar medium, enabling valued Suzuki-Miyaura coupling of aryl halides RX (R = 2-O2NC6H4, 1-benzothiophen-2-yl, 2-fluoropyridin-3-yl, etc.; X = Cl, Br, I) and aryl boronic acids R1B(OH)2 (R1 = 4-ClC6H4, 1-benzofuran-2-yl, pyren-1-yl, etc.) to be run not only in water under mild conditions, but at 300 ppm of Pd catalyst. This general methodol. has been applied to several targets in the pharmaceutical area. Multiple recyclings of the aqueous reaction mixture involving both the same as well as different coupling partners are demonstrated. Low temperature microscopy (cryo-TEM) indicates the nature and size of the particles acting as nanoreactors. Importantly, given the low loadings of Pd invested per reaction, ICP-MS analyses of residual palladium in the products show levels to be expected that are well within FDA allowable limits.

Chemical Science published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 13472-84-9 belongs to class pyridine-derivatives, and the molecular formula is C6H6ClNO, Recommanded Product: 3-Chloro-2-methoxypyridine.

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

Shi, Yinyin; Wang, Yue; Huang, Zhefan; Zhang, Fangjun; Shao, Yinlin published the artcile< tBuOLi-Promoted Hydroboration of Esters and Epoxides>, Computed Properties of 93-60-7, the main research area is ester lactone epoxide hydroboration chemoselective lithium tertbutoxide catalyst; alc preparation.

Com. available and inexpensive lithium tert-butoxide (tBuOLi) acts as a good precatalyst for the hydroboration of esters, lactones, and epoxides using pinacolborane as a borylation agent. Functional groups such as cyano-, nitro-, amino-, vinyl, and alkynyl are unaffected under the presented hydroboration process, representing high chemoselectivity. This transformation has also been effectively applied to the synthesis of key intermediates of Erlotinib and Cinacalcet. Preliminary investigations of the mechanism show that the hydroboration proceeds through the in situ formed BH3 species.

ACS Omega published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Computed Properties of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bej, Raju; Ghosh, Suhrit published the artcile< Glutathione Triggered Cascade Degradation of an Amphiphilic Poly(disulfide)-Drug Conjugate and Targeted Release>, Recommanded Product: 1,2-Di(pyridin-2-yl)disulfane, the main research area is glutathione cascade amphiphile polydisulfide drug conjugate targeting.

A bioreducible poly(disulfide)-derived amphiphilic block copolymer-drug conjugate (loading content 31%) was synthesized by post-polymerization modification. It shows redox-responsive polymersome assembly in water with aggregation induced emission property arising from the appended Camptothecin (CPT) drug. Glutathione (GSH), a tripeptide overexpressed in cancer cells, triggers a cascade reaction resulting in simultaneous degradation of the polymer backbone (consisting of disulfide linkage) and the release of the pendant drug. The cascade reaction involves GSH trigger cleavage of the backbone disulfide bond producing free thiol followed by its intrachain nucleophilic attack to the adjacent carbonate group that links the appended drug mol. The polymeric pro-drug exhibits killing efficiency to a cancer cell with remarkably low IC50 value of 3.1μg/mL (based on the CPT concentration) while it shows negligible toxicity to a normal cell up to polymer concentration 300μg/mL.

Bioconjugate Chemistry published new progress about Aggregation-induced emission. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Recommanded Product: 1,2-Di(pyridin-2-yl)disulfane.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rutgeerts, Laurens A. J.; Soultan, Al Halifa; Subramani, Ramesh; Toprakhisar, Burak; Ramon, Herman; Paderes, Monissa C.; De Borggraeve, Wim M.; Patterson, Jennifer published the artcile< Robust scalable synthesis of a bis-urea derivative forming thixotropic and cytocompatible supramolecular hydrogels>, Reference of 3731-53-1, the main research area is bis urea derivative nanofiber supramol hydrogel gelator cytocompatibility.

Synthetic hydrogels address a need for affordable, industrially scalable scaffolds for tissue engineering. Herein, a novel low mol. weight gelator is reported that forms self-healing supramol. hydrogels. Its robust synthesis can be performed in a solvent-free manner using ball milling. Strikingly, encapsulated cells spread and proliferate without specific cell adhesion ligands in the nanofibrous material.

Chemical Communications (Cambridge, United Kingdom) published new progress about Biocompatibility. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Reference of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hajos, G.; Riedl, Z. published the artcile< Product class 5: azaindolizines with two nitrogen atoms in the five-membered ring>, Synthetic Route of 22280-62-2, the main research area is review azaindolizine preparation.

A review of preparation of azaindolizines with two nitrogen atoms in the five-membered ring. Covered reactions include ring-closure, substituent modification, substitution reactions, and other miscellaneous methods.

Science of Synthesis published new progress about Cyclization. 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

Evjen, Sigvart; Loege, Oda Siebke; Fiksdahl, Anne; Knuutila, Hanna K. published the artcile< Aminoalkyl-Functionalized Pyridines as High Cyclic Capacity CO2 Absorbents>, Computed Properties of 3731-53-1, the main research area is aminoalkyl functionalized pyridines high cyclic capacity carbon dioxide absorbent.

Recent years have witnessed a growing academic interest in the development of new CO2 capture solvents to reduce the capture costs. This study focused on nine picolylamines (three com. and six synthesized) and one imidazole-amine, most of which have not previously been reported as amine absorbents. The solvent performance was evaluated by measuring the absorption capacity, desorption tendency, and pKa. Several of the amines demonstrated CO2 cyclic capacity significantly higher than that of 30 wt % MEA due to very lean CO2 loadings, driven by low amine pKa. The lean loadings can potentially mitigate solvent degradation At the same time, absorption rates comparable to 30 wt % MEA were obtained for 3 M picolylamines. The results demonstrate the promising nature of picolylamines and derivatives for CO2 capture.

Energy & Fuels published new progress about Absorbents. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Computed Properties of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gunzner-Toste, Janet; Zhao, Guiling; Bauer, Paul; Baumeister, Timm; Buckmelter, Alexandre J.; Caligiuri, Maureen; Clodfelter, Karl H.; Fu, Bang; Han, Bingsong; Ho, Yen-Ching; Kley, Nikolai; Liang, Xiaorong; Liederer, Bianca M.; Lin, Jian; Mukadam, Sophie; O’Brien, Thomas; Oh, Angela; Reynolds, Dominic J.; Sharma, Geeta; Skelton, Nicholas; Smith, Chase C.; Sodhi, Jasleen; Wang, Weiru; Wang, Zhongguo; Xiao, Yang; Yuen, Po-wai; Zak, Mark; Zhang, Lei; Zheng, Xiaozhang; Bair, Kenneth W.; Dragovich, Peter S. published the artcile< Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties>, Reference of 56622-54-9, the main research area is urea containing nicotinamide phosphoribosyltransferase inhibitor reduced CYP2C9 inhibition preparation; pharmacokinetic antitumor activity urea containing benzenesulfonamide.

Potent, reversible inhibition of the cytochrome P 450 CYP2C9 isoform was observed in a series of urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors. This unwanted property was successfully removed from the described inhibitors through a combination of structure-based design and medicinal chem. activities. An optimized compound, I, which did not inhibit CYP2C9 exhibited potent anti-NAMPT activity (BC NAMPT IC50 = 3 nM; A2780 antiproliferative IC50 = 70 nM), good mouse PK properties, and was efficacious in an A2780 mouse xenograft model. The crystal structure of this compound in complex with the NAMPT protein is also described.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Reference of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhou, Xin-Yue; Zhang, Ming; Liu, Zhong; He, Jia-Hao; Wang, Xiao-Chen published the artcile< C3-Selective Trifluoromethylthiolation and Difluoromethylthiolation of Pyridines and Pyridine Drugs via Dihydropyridine Intermediates>, Electric Literature of 581-47-5, the main research area is trifluoromethylthiopyridine preparation one pot regioselective; pyridine trifluoromethylthiolation difluoromethylthiolation hydroboration oxidative aromatization; difluoromethylthiopyridine preparation regioselective one pot.

Herein, authors report a method for unprecedented C3-selective C-H tri- and difluoromethylthiolation of pyridines. The method relies on borane-catalyzed pyridine hydroboration for generation of nucleophilic dihydropyridines; these intermediates react with trifluoromethylthio and difluoromethylthio electrophiles to form functionalized dihydropyridines, which then undergo oxidative aromatization. The method can be used for late-stage functionalization of pyridine drugs for the generation of new drug candidates.

Journal of the American Chemical Society published new progress about Aromatization. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Electric Literature of 581-47-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Santana, Francielli Sousa; Briganti, Matteo; Cassaro, Rafael A. Allao; Totti, Federico; Ribeiro, Ronny Rocha; Hughes, David L.; Nunes, Giovana Gioppo; Reis, Dayane Mey published the artcile< An oxalate-bridged copper(II) complex combining monodentate benzoate, 2,2' -bipyridine and aqua ligands: synthesis, crystal structure and investigation of magnetic properties>, Safety of 2,2′-Bipyridine, the main research area is dinuclear copper(II); ferromagnetic interaction; magnetic properties; noncovalent interaction.

A dinuclear copper(II) complex of formula [{Cu(bipy)(bzt)(OH2)}2(μ-ox)] (1) (where bipy = 2,2′ -bipyridine, bzt = benzoate and ox = oxalate) was synthesized and characterised by diffractometric (powder and single-crystal XRD) and thermogravimetric (TG/DTG) analyses, spectroscopic techniques (IR, Raman, ESR spectroscopy (EPR) and electronic spectroscopy), magnetic measurements and d. functional theory (DFT) calculations The anal. of the crystal structure revealed that the oxalate ligand is in bis(bidentate) coordination mode between two copper(II) centers. The other four positions of the coordination environment of the copper(II) ion are occupied by one water mol., a bidentate bipy and a monodentate bzt ligand. An inversion center located on the ox ligand generates the other half of the dinuclear complex. Intermol. hydrogen bonds and π-π interactions are responsible for the organization of the mols. in the solid state. Molar magnetic susceptibility and field dependence magnetization studies evidenced a weak intramol.-ferromagnetic interaction (J = +2.9 cm-1) between the metal ions. The sign and magnitude of the calculated J value by d. functional theory (DFT) are in agreement with the exptl. data.

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem