40704-11-8

Basic information

• Product Name: 3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
• Synonyms: CHEMBRDG-BB 4002205;3-METHYLPYRAZOLE-4-CARBOXYLIC ACID;3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;AKOS PAO-0300;Albb-005391;3-Methyl-1H-pyrazole-4-carboxylic acid 3-Methylpyrazole-4-carboxylic acid;3-Methylpyrazole-4-carboxylic acid 97%
• CAS NO: 40704-11-8
• Molecular Formula: C₅H₆N₂O₂
• Molecular Weight: 126.11
• Product Categories: Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 40704-11-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 225-230 °C (dec.)(lit.)
• Boiling Point: 384.2 °C at 760 mmHg
• Flash Point: 186.1 °C
• Appearance: /
• Density: 1.404 g/cm³
• Vapor Pressure: 1.37E-06mmHg at 25°C
• Refractive Index: 1.595
• Storage Temp.: 2-8°C(protect from light)
• PKA: 14.56±0.50(Predicted)
• CAS DataBase Reference: 3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(40704-11-8)
• EPA Substance Registry System: 3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(40704-11-8)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 40704-11-8(Hazardous Substances Data)

Usage

Uses

3-Methyl-1h-pyrazole-4-carboxylic Acid is a reactant used in the characterization of MOFs with crystal vacancies introduced by removing quarter of metal ions and half of linkers.

InChI:InChI=1/C5H6N2O2/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9)

Upstream product

• 6214-65-9 5-acetyluracil 
• 121902-74-7 allophanoyl-4 methyl-3 pyrazole 
• 112758-40-4 3-methyl-1H-pyrazole-4-carbaldehyde 
• 23170-45-8 3-methyl-1H-pyrazole-4-carboxylic acid methyl ester 
• 186581-53-3 diazomethane 
• 617-53-8 mesaconic acid dimethyl ester 
• 617-54-9 citraconic acid dimethyl ester 

Downstream Products

• 288249-75-2 N-(3-cyano-4-neopentyloxyphenyl)-5-methylpyrazole-4-carboxamide 
• 1194056-10-4 5-methyl-1H-pyrazole-4-carboxylic acid [(S)-1-(3-trifluoromethyl-phenyl)-ethyl]-amide 
• 23170-45-8 3-methyl-1H-pyrazole-4-carboxylic acid methyl ester 
• 1194055-09-8 1-(5-chloro-pyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid [(S)-1-(3-trifluoromethyl-phenyl)-ethyl]-amide 
• 1079402-09-7 N-{6-amino-5-[2-(trifluoromethoxy)phenyl]pyridine-2-yl}-3-methyl-2-{[2-(trimethylsilyl)ethoxy]methyl}-2H-pyrazole-4-carboxamide 
• 1079401-11-8 N-{6-amino-5-[2-(trifluoromethoxy)phenyl]pyridin-2-yl}-3-methyl-1H-pyrazole-4-carboxamide 
• 1450657-76-7 3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxylic acid 
• 1450657-72-3 methyl 3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxylate 
• 1450657-74-5 methyl 5-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxylate 
• 1307313-17-2 1-[2-[4-[(2-chloro-4,4-difluoro-4,5-dihydrospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]-N,N-dimethylmethanamine (L)-tartrate 

Relevant articles and documents

Discovery of pyrazole derivatives as cellular active inhibitors of histone lysine specific demethylase 5B (KDM5B/JARID1B)

KDM5B (also known as PLU-1 and JARID1B) is 2-oxoglutarate and Fe2+ dependent oxygenase that acts as a histone H3K4 demethylase, which is a key participant in inhibiting the expression of tumor suppressors as a drug target. Here, we present the discovery of pyrazole derivatives compound 5 by structure-based virtual screening and biochemical screening with IC50 of 9.320 μM against KDM5B, and its subsequent optimization to give 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholinopropyl)-3-phenyl-1H-pyrazole-4-carboxamide (27 ab), a potent KDM5B inhibitor with IC50 of 0.0244 μM. In MKN45 cells, compound 27 ab can bind and stabilize KDM5B and induce the accumulation of H3K4me2/3, bona fide substrates of KDM5B, while keep the amount of H3K4me1, H3K9me2/3 and H3K27me2 without change. Further biological study also indicated that compound 27 ab is a potent cellular active KDM5B inhibitor that can inhibit MKN45 cell proliferation, wound healing and migration. In sum, our finding gives a novel structure for the discovery of KDM5B inhibitor and targeting KDM5B may be a new therapeutic strategy for gastric cancer treatment.

PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS

Disclosed are compounds of the formula I which block the interaction of CCR1 and its ligands and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

AMIDE COMPOUNDS AND MEDICINAL USE THEREOF

The present invention relates to a compound of the formula wherein R1 is substituted aryl, heteroaryl and the like, R2 and R3 are hydrogen, alkyl, halogen, hydroxyl group and the like, Q is N, CH and the like, W is hydrogen, alkyl, hydroxycarbonylalkyl and the like, X is halogen, cyano, nitro, amino and the like, X' is hydrogen, halogen, cyano, nitro, and Y is alkyl, hydroxyl group, alkoxy, mercapto and the like and a salt thereof, and a medicine containing the said compound. The compound of the present invention shows a superior inhibitory effect on activated lymphocytes proliferation and is useful as an agent for the prophylaxis or treatment of various autoimmune diseases.