Tag: M.W=200-250

Wang, Huai-Wei; Wu, Jia-Xue; Qiao, Yu-Han; Li, Yong-Fei; Li, Da-Cheng; Dou, Jian-Min; Yao, Qing-Xia; Lu, Yi published the artcile< RhIII-Catalyzed Direct Heteroarylation of C(sp3)-H and C(sp2)-H Bonds in Heterocycles with N-Heteroaromatic Boronates>, Recommanded Product: 1-(4-Bromophenyl)-1H-pyrazole, the main research area is methyl quinoline heteroaryl boronate rhodium catalyst heteroarylation; heteroaryl methyl quinoline preparation; phenyl pyridine heteroaryl boronate rhodium catalyst heteroarylation; heteroaromatic phenyl pyridine preparation.

A RhIII-catalyzed heteroarylation of C(sp3)-H and C(sp2)-H bonds in heterocycles with organoboron reagents were disclosed. This protocol displayed high efficiency and excellent functional group tolerance. A range of heterocyclic boronates with strong coordinating atoms, including pyridine, pyrimidine, pyrazole, thiophene and furan derivatives, extensively served as the coupling reagents. The direct heteroarylation method could supply potential application in terms of the synthesis of drug mols. with multiple heterocycles.

Organic Letters published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent). 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 1-(4-Bromophenyl)-1H-pyrazole.

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

Huang, Qinhua; Johnson, Ted W.; Bailey, Simon; Brooun, Alexei; Bunker, Kevin D.; Burke, Benjamin J.; Collins, Michael R.; Cook, Andrew S.; Cui, J. Jean; Dack, Kevin N.; Deal, Judith G.; Deng, Ya-Li; Dinh, Dac; Engstrom, Lars D.; He, Mingying; Hoffman, Jacqui; Hoffman, Robert L.; Johnson, Patrick S.; Kania, Robert S.; Lam, Hieu; Lam, Justine L.; Le, Phuong T.; Li, Qiuhua; Lingardo, Laura; Liu, Wei; Lu, Melissa West; McTigue, Michele; Palmer, Cynthia L.; Richardson, Paul F.; Sach, Neal W.; Shen, Hong; Smeal, Tod; Smith, Graham L.; Stewart, Albert E.; Timofeevski, Sergei; Tsaparikos, Konstantinos; Wang, Hui; Zhu, Huichun; Zhu, Jinjiang; Zou, Helen Y.; Edwards, Martin P. published the artcile< Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib>, Electric Literature of 936250-20-3, the main research area is crizotinib resistant lymphoma kinase mutation inhibitor preparation SAR.

Crizotinib, an anaplastic lymphoma kinase (ALK) receptor tyrosine kinase inhibitor approved by the U.S. Food and Drug Administration in 2011, is efficacious in ALK and ROS pos. patients. Under pressure of crizotinib treatment, point mutations arise in the kinase domain of ALK, resulting in resistance and progressive disease. The successful application of both structure-based and lipophilic-efficiency-focused drug design resulted in aminopyridine (I), which was potent across a broad panel of engineered ALK mutant cell lines and showed suitable preclin. pharmacokinetics and robust tumor growth inhibition in a crizotinib-resistant cell line (H3122-L1196M).

Journal of Medicinal Chemistry published new progress about Antitumor agents. 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, Electric Literature of 936250-20-3.

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

He, Yuanjun; Duckett, Derek; Chen, Weimin; Ling, Yuan Yuan; Cameron, Michael D.; Lin, Li; Ruiz, Claudia H.; LoGrasso, Philip V.; Kamenecka, Theodore M.; Koenig, Marcel published the artcile< Synthesis and SAR of novel isoxazoles as potent c-jun N-terminal kinase (JNK) inhibitors>, Computed Properties of 936250-20-3, the main research area is pyridylisoxazole preparation JNK inhibitor SAR selectivity p38; Isoxazole; JNK; Kinase; c-Jun.

The design and synthesis of isoxazole I is described, a potent JNK inhibitor with two fold selectivity over p38. Optimization of this scaffold led to compounds II and III which showed greatly improved selectivity over p38 by maintaining the JNK3 potency of compound I. Extensive SAR studies will be described as well as preliminary in vivo data of the two lead compounds

Bioorganic & Medicinal Chemistry Letters published new progress about Homo sapiens. 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, Computed Properties of 936250-20-3.

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

Marin-Luna, Marta; Claramunt, Rosa M.; Lopez, Concepcion; Perez-Torralba, Marta; Sanz, Dionisia; Reviriego, Felipe; Alkorta, Ibon; Elguero, Jose published the artcile< A GIPAW versus GIAO-ZORA-SO study of 13C and 15N CPMAS NMR chemical shifts of aromatic and heterocyclic bromo derivatives>, HPLC of Formula: 13808-65-6, the main research area is bromo heterocycle CPMAS NMR chem shift shielding IR spectra; GIAO; GIPAW; HALA; Heterocyclic compounds; NMR crystallography; ZORA.

We reported herein the theor. characterization of 13C and 15N CPMAS NMR of known bromo-derivative crystals by using both the GIPAW and the combined GIAO-ZORA-SO approximation methods. Several statistical analyses were performed to compare both approaches, with non-relativistic GIPAW method being more useful to predict the 13C and 15N chem. shifts. The problem of applying GIPAW to crystal structures showing static or dynamic crystalline disorder of the special class resulting in half-protons will be discussed in detail.

Solid State Nuclear Magnetic Resonance published new progress about Azoles Role: PRP (Properties). 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, HPLC of Formula: 13808-65-6.

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

Ward, D. D.; Grimmett, M. R. published the artcile< Separation of pyrazoles by gas chromatography>, Name: 4-Bromo-3-phenyl-1H-pyrazole, the main research area is pyrazole separation gas chromatog.

Pyrazole derivatives were separated by gas chromatog. by using glass columns (2.5 m × 1.5 mm) packed with silanized Chromosorb W (100-200 mesh) coated with 12% OV-17 or OV-225, N carrier gas at 20-25 cm3-min, inlet temperature 130-40°, a flame ionization detector at 300-50°, and temperature programming from 50° at 10°/min. Relative retention indexes and linear programmed indexes are given for alkyl-, 4-bromo-, 1-nitro-, C-nitro-, and bromonitropyrazoles. Although both N-substituted and N-unsubstituted pyrazoles could be separated on the same columns, 1-nitropyrazoles were sometimes susceptible to denitration at the higher temperatures used.

Journal of Chromatography published new progress about Gas chromatography. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Name: 4-Bromo-3-phenyl-1H-pyrazole.

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

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

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

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