189339-76-2

Basic information

• Product Name: 1-Piperidinecarboxylic acid, 3-[[3-[[(2-chlorophenyl)sulfonyl]oxy]-5-methylphenoxy]methyl]-, 1,1-dimethylethyl ester
• CAS NO: 189339-76-2
• Molecular Formula: C24H30ClNO6S
• Molecular Weight: 496.024
• Mol File: 189339-76-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-Piperidinecarboxylic acid, 3-[[3-[[(2-chlorophenyl)sulfonyl]oxy]-5-methylphenoxy]methyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperidinecarboxylic acid, 3-[[3-[[(2-chlorophenyl)sulfonyl]oxy]-5-methylphenoxy]methyl]-, 1,1-dimethylethyl ester(189339-76-2)
• EPA Substance Registry System: 1-Piperidinecarboxylic acid, 3-[[3-[[(2-chlorophenyl)sulfonyl]oxy]-5-methylphenoxy]methyl]-, 1,1-dimethylethyl ester(189339-76-2)

Safety Data

• Hazardous Substances Data: 189339-76-2(Hazardous Substances Data)

Upstream product

• 116574-71-1 (±)-tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 4606-65-9 3-(hydroxymethy)piperidine 
• 189339-69-3 2-chlorobenzenesulfonic acid 3-hydroxy-5-methylphenyl ester 
• 162166-99-6 3-methanesulfonyloxymethyl-piperidine-1-carboxylic acid tert-butyl ester 

Downstream Products

• 189339-80-8 2-chlorobenzenesulfonic acid 3-[(piperidin-3-yl)methoxy]-5-methylphenyl ester 

Relevant articles and documents

In vitro evaluation and crystallographic analysis of a new class of selective, non-amide-based thrombin inhibitors

We describe the in vitro evaluation and crystallographic analysis of a new class of potent and selective, non-aminoacid-based, small-molecule thrombin inhibitors, exemplified by 14. This class of achiral inhibitors lacks an amide-based backbone, exhibits nM inhibition of thrombin, and is selective for thrombin. Compound 14 does not interact with the active-site catalytic apparatus and is anchored to the enzyme via a single network of hydrogen bonds to Asp 189 of the S1 pocket.