321553-53-1

Basic information

• Product Name: 5-(4-TERT-BUTYLBENZYLTHIO)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE
• Synonyms: 5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE;5-(4-TERT-BUTYLBENZYLTHIO)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE;5-(4-TERT-BUTYLBENZYLTHIO)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXADEHYDE;5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
• CAS NO: 321553-53-1
• Molecular Formula: C17H19F3N2OS
• Molecular Weight: 356.41
• Mol File: 321553-53-1.mol
• Article Data: 1

Chemical Properties

• Melting Point: 60-62°C
• Appearance: /
• CAS DataBase Reference: 5-(4-TERT-BUTYLBENZYLTHIO)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-TERT-BUTYLBENZYLTHIO)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE(321553-53-1)
• EPA Substance Registry System: 5-(4-TERT-BUTYLBENZYLTHIO)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE(321553-53-1)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 321553-53-1(Hazardous Substances Data)

Upstream product

• 49543-63-7 4-tert-butylbenzyl mercaptan 
• 128455-62-9 5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde 

Relevant articles and documents

5-((1H-Pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one inhibitors of ADAMTS-5

A series of 5-((1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one inhibitors of ADAMTS-5 (aggrecanase-2) is described. These compounds show μM functional inhibition of ADAMTS-5, and represent a new class of agents with the potential of inhibiting degradation of aggrecan, a major component of cartilage which is lost in osteoporosis. Compound 12 is noteworthy in that it has an ADAMTS-5 IC50: 1.1 μM and shows >40-fold functional selectivity over ADAMTS-4 (aggrecanase-1).