871828-07-8

Basic information

• Product Name: 4-bromo-N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-benzamide
• Synonyms: 4-bromo-N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-benzamide
• CAS NO: 871828-07-8
• Molecular Weight: 364.242
• Mol File: 871828-07-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-bromo-N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromo-N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-benzamide(871828-07-8)
• EPA Substance Registry System: 4-bromo-N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-benzamide(871828-07-8)

Safety Data

• Hazardous Substances Data: 871828-07-8(Hazardous Substances Data)

Upstream product

• 2756-85-6 1-aminocyclohexane carboxylic acid 
• 225122-32-7 1-amino-cyclohexanecarboxylic acid cyanomethyl amide 
• 586-75-4 4-chlorobenzoyl chloride 
• 115951-16-1 1-tert-butoxycarbonylaminocyclohexanecarboxylic acid 
• 225122-33-8 N-(tert-butyloxycarbonyl)homocycloleucyl-glycine-nitrile 
• 586-76-5 4-Bromobenzoic acid 

Downstream Products

• 871828-68-1 methyl 1-[4-(trimethylsilanylethynyl)benzoylamino]cyclohexanecarboxylate 
• 871828-04-5 (1-(4-ethynylbenzoylamino)cyclohexane)carboxylic acid 
• 871828-15-8 N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzamide 
• 871828-14-7 methyl 1-(4-bromobenzoylamino)cyclohexanecarboxylate 

Relevant articles and documents

New cathepsin inhibitors to explore the fluorophilic properties of the S2 pocket of cathepsin B: Design, synthesis, and biological evaluation

Fluor-in or out? Based on β,β-difluorinated cycloaliphatic amino acids, a library of new dipeptide nitriles was evaluated as human cathepsin inhibitors. The orientation of the fluorinated face relative to the protein structure of cathepsin B was elucidated by molecular modeling and NMR studies (see figure). For (R)-configured eutomers, the fluorine atoms are directed to the S2 pocket, whereas in (S)-configured distomers, the fluorinated face is solvent-exposed.