512818-39-2

Basic information

• Product Name: 1-Piperidinecarboxylic acid, 4-[[[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]amino]carbonyl]-, 1,1-dimethylethyl ester
• CAS NO: 512818-39-2
• Molecular Formula: C19H22F6N2O5S
• Molecular Weight: 504.45
• Mol File: 512818-39-2.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-Piperidinecarboxylic acid, 4-[[[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]amino]carbonyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperidinecarboxylic acid, 4-[[[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]amino]carbonyl]-, 1,1-dimethylethyl ester(512818-39-2)
• EPA Substance Registry System: 1-Piperidinecarboxylic acid, 4-[[[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]amino]carbonyl]-, 1,1-dimethylethyl ester(512818-39-2)

Safety Data

• Hazardous Substances Data: 512818-39-2(Hazardous Substances Data)

Upstream product

• 39234-86-1 3,5-bis(trifluoromethyl)benzenesulfonyl chloride 
• 39213-22-4 3,5-bis(trifluoromethyl)benzenesulfonamide 
• 84358-13-4 N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid 

Downstream Products

• 512822-19-4 N-(piperidine-4-carbonyl)-3,5-bis-trifluoromethyl-benzenesulfonamide hydrochloride 

Relevant articles and documents

ANTI-INFLAMMATORY COMPOUNDS

The use of a steroid sulfatase inhibitor in the preparation of a medicament for the treatment of inflammatory diseases.

N-Acyl arylsulfonamides as novel, reversible inhibitors of human steroid sulfatase

Steroid sulfatase (STS) is an attractive target for a range of oestrogen- and androgen-dependent diseases. In search of novel chemotypes of STS inhibitors, we had previously identified nortropinyl-arylsulfonylureas 1; however, while these compounds were good inhibitors of purified STS (lowest Ki = 76 nM), they showed only weak inhibition of STS activity in cells (lowest IC50 around 2 μM). Extended structure-activity relationship studies involving modification of the phenylacetyl side chain and replacement of the nortropine element by simpler scaffolds led to the discovery of N-acyl arylsulfonamides, more specifically N-(Boc-piperidine-4-carbonyl)- benzenesulfonamides, as STS inhibitors, some of which exhibit improved cellular potency (best IC50 = 270 nM).