189956-21-6

Basic information

• Product Name: 4,4,4-trifluoro-2-methyl-1-(4-methylsulfanyl-phenyl)-butan-1-one
• CAS NO: 189956-21-6
• Molecular Weight: 262.296
• Mol File: 189956-21-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4,4,4-trifluoro-2-methyl-1-(4-methylsulfanyl-phenyl)-butan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4,4-trifluoro-2-methyl-1-(4-methylsulfanyl-phenyl)-butan-1-one(189956-21-6)
• EPA Substance Registry System: 4,4,4-trifluoro-2-methyl-1-(4-methylsulfanyl-phenyl)-butan-1-one(189956-21-6)

Safety Data

• Hazardous Substances Data: 189956-21-6(Hazardous Substances Data)

Upstream product

• 100-68-5 methyl-phenyl-thioether 
• 136564-78-8 2-methyl-4,4,4-trifluorobutyryl chloride 
• 99783-23-0 4,4,4-trifluoro-2-methylbutanoic acid 

Downstream Products

• 190966-57-5 3-hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5-(2,2,2-trifluoro-ethyl)-5H-furan-2-one 
• 189956-23-8 2-(R)-hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)-4.4,4-trifluoro-1-butanone 
• 189956-22-7 4,4,4-trifluoro-2-hydroxy-2-methyl-1-(4-methylsulfanyl-phenyl)-butan-1-one 

Relevant articles and documents

Discovery of a potent and selective COX-2 inhibitor in the alkoxy lactone series with optimized metabolic profile.

The COX-2 inhibitor DFP [5,5-dimethyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanone] was found to have a long half-life in humans. Analogues have been characterized in order to optimize pharmacokinetics. This has lead to the discovery of 5(S)-(5-ethyl-5-methyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanone analogue 11 a potent and selective COX-2 inhibitor which is metabolized to a greater extent than DFP upon incubation with rat and human hepatocytes, suggesting a shorter half-life in humans.