Category: pyrazoles-derivatives

Lesniak, Robert K.; Nichols, R. Jeremy; Schonemann, Marcus; Zhao, Jing; Gajera, Chandresh R.; Lam, Grace; Nguyen, Khanh C.; Langston, J. William; Smith, Mark; Montine, Thomas J. published the artcile< Discovery of 1H-Pyrazole Biaryl Sulfonamides as Novel G2019S-LRRK2 Kinase Inhibitors>, Electric Literature of 13808-65-6, the main research area is pyrazole biaryl sulfonamides preparation G2019S LRRK2 kinase inhibitor.

G2019S (GS) is the most prevalent mutation in the leucine rich repeat protein kinase 2 gene (LRRK2), a genetic predisposition that is common for Parkinson’s disease, as well as for some forms of cancer, and is a shared risk allele for Crohn’s disease. GS-LRRK2 has a hyperactive kinase, and although numerous drug discovery programs have targeted LRRK2 kinase, few have reached clin. development. We report the discovery and preliminary development of an entirely novel structural class of potent and selective GS-LRRK2 kinase inhibitors: biaryl-1H-pyrazoles.

ACS Medicinal Chemistry Letters published new progress about Crohn disease. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Electric Literature of 13808-65-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Larsen, Matthew A.; Hartwig, John F. published the artcile< Iridium-Catalyzed C-H Borylation of Heteroarenes: Scope, Regioselectivity, Application to Late-Stage Functionalization, and Mechanism>, Category: pyrazoles-derivatives, the main research area is iridium catalyzed carbon hydrogen borylation heteroarene regioselectivity functionalization mechanism; tetramethylphenanthroline iridium catalyzed heteroarene borylation regioselectivity computational study.

A study on the iridium-catalyzed C-H borylation of heteroarenes is reported. Several heteroarenes containing multiple heteroatoms were amenable to C-H borylation catalyzed by the combination of an iridium(I) precursor and tetramethylphenanthroline. The investigations of the scope of the reaction led to the development of powerful rules for predicting the regioselectivity of borylation, foremost of which is that borylation occurs distal to nitrogen atoms. One-pot functionalizations are reported of the heteroaryl boronate esters formed in situ, demonstrating the usefulness of the reported methodol. for the synthesis of complex heteroaryl structures. Application of this methodol. to the synthesis and late-stage functionalization of biol. active compounds is also demonstrated. Mechanistic studies show that basic heteroarenes can bind to the catalyst and alter the resting state from the olefin-bound complex observed during arene borylation to a species containing a bound heteroarene, leading to catalyst deactivation. Studies on the origins of the observed regioselectivity show that borylation occurs distal to N-H bonds due to rapid N-H borylation, creating an unfavorable steric environment for borylation adjacent to these bonds. Computational studies and mechanistic studies show that the lack of observable borylation of C-H bonds adjacent to basic nitrogen is not the result of coordination to a bulky Lewis acid prior to C-H activation, but the combination of a higher-energy pathway for the borylation of these bonds relative to other C-H bonds and the instability of the products formed from borylation adjacent to basic nitrogen.

Journal of the American Chemical Society published new progress about Boronic acids, esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (heteroaryl). 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, Category: pyrazoles-derivatives.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Saakyan, A. A. published the artcile< Esterification of pyrazole-3- and 4-carboxylic acids>, COA of Formula: C6H8N2O2, the main research area is pyrazole carboxylic acid methanol esterification acid catalyst; ester pyrazole preparation substituent effect.

The esterification of pyrazole-3- and 4-carboxylic acids with MeOH was described.

Russian Journal of General Chemistry published new progress about Carboxylic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (heteroaryl). 17827-61-1 belongs to class pyrazoles-derivatives, and the molecular formula is C6H8N2O2, COA of Formula: C6H8N2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Chowdhury, Sarwat; Sessions, E. Hampton; Pocas, Jennifer R.; Grant, Wayne; Schroeter, Thomas; Lin, Li; Ruiz, Claudia; Cameron, Michael D.; Schuerer, Stephan; LoGrasso, Philip; Bannister, Thomas D.; Feng, Yangbo published the artcile< Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)>, Formula: C10H17BN2O2, the main research area is azaindolecarboxamide aralkyl preparation Rho kinase inhibitor.

Rho kinase (ROCK) inhibitors are potential therapeutic agents to treat disorders such as hypertension, multiple sclerosis, cancers, and glaucoma. The synthesis, optimization, biol. evaluation of potent indole and 7-azaindole based ROCK inhibitors that have high potency on ROCK (IC50 = 1 nM) with 740-fold selectivity over PKA, such as I. Moreover, I showed very good DMPK properties making it a good candidate for further development. Finally, docking studies with a homol. model of ROCK-II were performed to rationalize the binding mode of these compounds and showed the compounds bound in both orientations to take advantage to H-bonds with Lys-121 of ROCK-II.

Bioorganic & Medicinal Chemistry Letters published new progress about 936250-20-3. 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, Formula: C10H17BN2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Garcia, M. Angeles; Cabildo, Pilar; Claramunt, Rosa M.; Pinilla, Elena; Rosario Torres, M.; Alkorta, Ibon; Elguero, Jose published the artcile< The interplay of hydrogen bonds and halogen bonds in the structure of NH-pyrazoles bearing C-aryl and C-halogen substituents>, Related Products of 13808-65-6, the main research area is interplay hydrogen bond halogen structure pyrazole polymorph crystallog NMR.

The behavior in solution and in the solid state of 3(5)-phenyl-1H-pyrazole (7), 3(5)-phenyl-4-chloro-1H-pyrazole (6), 3(5)-phenyl-4-bromo-1H-pyrazole (1), and 3(5)-p-chlorophenyl-4-bromo-1H-pyrazole (8) is discussed in relation to their 3-Ph (a)/5-Ph (b) annular tautomerism. Two new x-ray structures are reported: a new polymorph of 1 and the structure of 6. The new polymorph is a 3-phenyl-1H-pyrazole 1a’ trimer while the new structure is a 5-phenyl-1H-pyrazole 6b trimer. The combined use of NMR at low temperature and DFT calculations allows to discuss the tautomerism of the first three pyrazoles and to predict that the fourth one should be a tetramer formed by both tautomers, 8a and 8b.

Inorganica Chimica Acta published new progress about Acidity. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Related Products of 13808-65-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Witiak, Donald T.; Lu, Matthias C. published the artcile< Product ratio analysis of the reaction of methyl cis- and trans-β-(acetylthio)acrylates with diazomethane>, Recommanded Product: Methyl 1-Methylpyrazole-3-carboxylate, the main research area is pyrazoles from acetylthioacrylates diazomethanation; acetylthioacrylates diazomethanation pyrazoles from; diazomethanation acetylthioacrylates pyrazoles from.

The relative yield of Me cis-β-(methylmercapto)acrylate 1-methyl-5-carbomethoxypyrazole 3-carbomethoxypyrazole and 1-methyl-3-carbomethoxypyrazole when Me cis- or trans-β-(acetylthio)acrylate undergoes reaction with excess CH2N2 in ether, was determined by means of gas-liquid partition chromatog. The analysis shows product formation to be dependent upon the stereochemistry of the starting Me β-(acetylthio)acrylate. Competing reaction pathways are proposed to account for the different yields of products. 25 references.

Journal of Organic Chemistry published new progress about 17827-61-1. 17827-61-1 belongs to class pyrazoles-derivatives, and the molecular formula is C6H8N2O2, Recommanded Product: Methyl 1-Methylpyrazole-3-carboxylate.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Nemec, Vaclav; Hylsova, Michaela; Maier, Lukas; Flegel, Jana; Sievers, Sonja; Ziegler, Slava; Schroeder, Martin; Berger, Benedict-Tilman; Chaikuad, Apirat; Valcikova, Barbora; Uldrijan, Stjepan; Drapela, Stanislav; Soucek, Karel; Waldmann, Herbert; Knapp, Stefan; Paruch, Kamil published the artcile< Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway>, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, the main research area is synthesis furopyridine; furopyridine cdc like kinase inhibitor Hedgehog pathway modulator; biological activity; chemical probes; heterocycles; inhibitors; kinases.

Reported is the identification of the furo[3,2-b]pyridine core as a novel scaffold for potent and highly selective inhibitors of cdc-like kinases (CLKs) and efficient modulators of the Hedgehog signaling pathway. Initially, a diverse target compound set was prepared by synthetic sequences based on chemoselective metal-mediated couplings, including assembly of the furo[3,2-b]pyridine scaffold by copper-mediated oxidative cyclization. Optimization of the subseries containing 3,5-disubstituted furo[3,2-b]pyridines, e.g. I, afforded potent, cell-active, and highly selective inhibitors of CLKs. Profiling of the kinase-inactive subset of 3,5,7-trisubstituted furo[3,2-b]pyridines, e.g. II, revealed sub-micromolar modulators of the Hedgehog pathway.

Angewandte Chemie, International Edition published new progress about Antitumor agents. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Dinghai; Wu, Lianqian; Wang, Fei; Wan, Xiaolong; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng published the artcile< Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines>, Synthetic Route of 936250-20-3, the main research area is asym copper catalyzed intermol aminoarylation styrene alkylsulfonamide; diarylethylamine preparation.

We have developed a copper-catalyzed enantioselective intermol. aminoarylation of alkenes using a novel N-fluoro-N-alkylsulfonamide as the amine reagent, which could react with the Cu(I) catalyst to release a related amino radical. After addition to styrene, the generated benzylic radical could couple with a chiral L*CuIIAr complex to achieve enantioselective arylation. Various optical 2,2-diarylethylamines were efficiently synthesized from simple styrenes with high enantioselectivity, and these products can serve as valuable synthons toward bioactive mols.’ synthesis.

Journal of the American Chemical Society published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, Synthetic Route of 936250-20-3.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Klug, Dana M.; Diaz-Gonzalez, Rosario; DeLano, Travis J.; Mavrogiannaki, Eftychia M.; Buskes, Melissa J.; Dalton, Raeann M.; Fisher, John K.; Schneider, Katherine M.; Hilborne, Vivian; Fritsche, Melanie G.; Simpson, Quillon J.; Tear, Westley F.; Devine, William G.; Perez-Moreno, Guiomar; Ceballos-Perez, Gloria; Garcia-Hernandez, Raquel; Bosch-Navarrete, Cristina; Ruiz-Perez, Luis Miguel; Gamarro, Francisco; Gonzalez-Pacanowska, Dolores; Martinez-Martinez, Maria Santos; Manzano-Chinchon, Pilar; Navarro, Miguel; Pollastri, Michael P.; Ferrins, Lori published the artcile< Structure-property studies of an imidazoquinoline chemotype with antitrypanosomal activity>, Application of C10H17BN2O2, the main research area is imidazoquinoline chemotype antitrypanosomal activity structure activity relationship.

Human African trypanosomiasis is a neglected tropical disease (NTD) that is fatal if left untreated. Although approx. 13 million people live in moderate- to high-risk areas for infection, current treatments are plagued by problems with safety, efficacy, and emerging resistance. In an effort to fill the drug development pipeline for HAT, we have expanded previous work exploring the chemotype represented by the compound NEU-1090, with a particular focus on improvement of absorption, distribution, metabolism and elimination (ADME) properties. These efforts resulted in several compounds with substantially improved aqueous solubility, although these modifications typically resulted in a loss of trypanosomal activity. We herein report the results of our investigation into the antiparasitic activity, toxicity, and ADME properties of this class of compounds in the interest of informing the NTD drug discovery community and avoiding duplication of effort.

RSC Medicinal Chemistry published new progress about Blood. 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, Application of C10H17BN2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics