91138-00-0

Basic information

• Product Name: 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
• Synonyms: AKOS PAO-0331;5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;5-METHYL-1-PHENYLPYRAZOLE-4-CARBOXYLIC ACID;3-METHYL-2-PHENYLPYRAZOLE-4-CARBOXYLIC ACID;CBI-BB ZERO/006129;BUTTPARK 33\08-16;RARECHEM AL BE 1317;SALOR-INT L317624-1EA
• CAS NO: 91138-00-0
• Molecular Formula: C₁₁H₁₀N₂O₂
• Molecular Weight: 202.21
• Product Categories: Heterocyclic Compounds;Heterocycles;Building Blocks;C11;Chemical Synthesis;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 91138-00-0.mol
• Article Data: 7

Chemical Properties

• Melting Point: 166-170 °C(lit.)
• Boiling Point: 382.9 °C at 760 mmHg
• Flash Point: 185.4 °C
• Appearance: Off-White Solid
• Density: 1.24 g/cm³
• Vapor Pressure: 1.51E-06mmHg at 25°C
• Refractive Index: 1.617
• Solubility: Chloroform
• PKA: 3.38±0.25(Predicted)
• BRN: 162776
• CAS DataBase Reference: 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(91138-00-0)
• EPA Substance Registry System: 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(91138-00-0)

Safety Data

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 91138-00-0(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

5-Methyl-1-phenylpyrazole-4-carboxylic Acid (cas# 91138-00-0) is a compound useful in organic synthesis.

InChI:InChI=1/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)

Upstream product

• 134653-70-6 ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate 
• 89193-16-8 ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate 
• 50421-80-2 4-hydroxy-3-methyl-but-3-en-2-one 
• 100-63-0 phenylhydrazine 

Downstream Products

• 6831-91-0 5-methyl-1-phenylpyrazole 
• 15719-64-9 methylammonium carbonate 
• 103095-52-9 5-methyl-1-phenyl-1H-pyrazol-4-amine 
• 205113-77-5 5-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride 
• 1576240-30-6 (S)-tert-butyl 2-(4-(5-methyl-1-phenyl-1H-pyrazole-4-carboxamido)phenyl)morpholine-4-carboxylate 
• 1015523-23-5 C₁₆H₁₄N₄O 
• 856905-25-4 1,1-dimethylethyl 7-{[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate 
• 1375163-30-6 N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide 
• 1221898-96-9 C₁₉H₂₀N₄O₂ 
• 1221898-97-0 C₂₀H₂₂N₄O₃ 

Relevant articles and documents

Structural, spectral, and theoretical investigations of 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid

The present research work has focused on combined experimental and theoretical studies of one of the biologically important pyrazole-4-carboxylic acid derivatives, viz. 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (C11H10N2/

Depsipeptides Featuring a Neutral P1 Are Potent Inhibitors of Kallikrein-Related Peptidase 6 with On-Target Cellular Activity

Kallikrein-related peptidase 6 (KLK6) is a secreted serine protease that belongs to the family of tissue kallikreins (KLKs). Many KLKs are investigated as potential biomarkers for cancer as well as therapeutic drug targets for a number of pathologies. KLK6, in particular, has been implicated in neurodegenerative diseases and cancer, but target validation has been hampered by a lack of selective inhibitors. This work introduces a class of depsipeptidic KLK6 inhibitors, discovered via high-throughput screening, which were found to function as substrate mimics that transiently acylate the catalytic serine of KLK6. Detailed structure-activity relationship studies, aided by in silico modeling, uncovered strict structural requirements for potency, stability, and acyl-enzyme complex half-life. An optimized scaffold, DKFZ-251, demonstrated good selectivity for KLK6 compared to other KLKs, and on-target activity in a cellular assay. Moreover, DKFZ-633, an inhibitor-derived activity-based probe, could be used to pull down active endogenous KLK6.

AMIDOPYRIDINE DERIVATIVE, AND USE THEREOF

The present invention relates to novel amidopyridine derivatives. More specifically, the present invention provides a medicinal agent which is useful as a prophylactic or therapeutic agent for diseases based on the production of cytokines from T cells, comprising as the active ingredient an amidopyridine derivative or a pharmacologically acceptable salt thereof. Provided are an amidopyridine derivative of the following general formula (I): wherein each symbol has the same meaning as defined in the description, or a pharmacologically acceptable salt thereof.