190711-47-8

Basic information

• Product Name: 1-(4-Methanesulfinyl-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole
• Synonyms: 1-(4-Methanesulfinyl-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole
• CAS NO: 190711-47-8
• Molecular Weight: 364.391
• Mol File: 190711-47-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-(4-Methanesulfinyl-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Methanesulfinyl-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole(190711-47-8)
• EPA Substance Registry System: 1-(4-Methanesulfinyl-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole(190711-47-8)

Safety Data

• Hazardous Substances Data: 190711-47-8(Hazardous Substances Data)

Upstream product

• 104-96-1 4-methylsulfanylaniline 
• 122-00-9 para-methylacetophenone 
• 58626-97-4 [p-(methylthio)phenyl]hydrazine hydrochloride 
• 720-94-5 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione 
• 616209-43-9 1-(4-(methylthio)phenyl)-5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazole 

Downstream Products

• 190711-63-8 Acetic acid 4-(5-p-tolyl-3-trifluoromethyl-pyrazol-1-yl)-phenylsulfanylmethyl ester 
• 190711-64-9 Acetic acid 4-(5-p-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonylmethyl ester 
• 190711-56-9 4-[5-(4-methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonyl chloride 
• 169590-42-5 4-[5-(4-(methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulphonamide 

Relevant articles and documents

CYP2C9 structure-metabolism relationships: Optimizing the metabolic stability of COX-2 inhibitors

The cytochrome P450 (CYP) family is composed of a large group of monooxygenases that mediate the metabolism of xenobiotics and endogenous compounds. CYP2C9, one of the major isoforms of the CYP family, is responsible for the phase I metabolism of a variety of drugs. The aim of the present investigation is to use rational design together with MetaSite, a metabolism site prediction program, to synthesize compounds that retain their pharmacological effects but that are metabolically more stable in the presence of CYP2C9. The model compound for the study is the nonsteroidal anti-inflammatory drug celecoxib, a COX-2 selective inhibitor and known CYP2C9 substrate. Thirteen analogs of celecoxib were designed, synthesized, and evaluated with regard to their metabolic properties and pharmacologic effects. The docking solutions and the predictions from MetaSite gave useful information leading to the design of new compounds with improved metabolic properties.