439117-41-6

Basic information

• Product Name: Carbamic acid, [[2-(azidomethyl)-4-chlorophenyl]methyl]-, 1,1-dimethylethyl ester
• CAS NO: 439117-41-6
• Molecular Formula: C13H17ClN4O2
• Molecular Weight: 296.757
• Mol File: 439117-41-6.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [[2-(azidomethyl)-4-chlorophenyl]methyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [[2-(azidomethyl)-4-chlorophenyl]methyl]-, 1,1-dimethylethyl ester(439117-41-6)
• EPA Substance Registry System: Carbamic acid, [[2-(azidomethyl)-4-chlorophenyl]methyl]-, 1,1-dimethylethyl ester(439117-41-6)

Safety Data

• Hazardous Substances Data: 439117-41-6(Hazardous Substances Data)

Upstream product

• 439117-40-5 tert-butyl 4-chloro-2-(hydroxymethyl)benzylcarbamate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 27007-53-0 methyl-2-bromo-5-chlorobenzoate 
• 439117-39-2 [2-(aminomethyl)-5-chlorophenyl]methanol 
• 439117-38-1 methyl 5-chloro-2-cyanobenzoate 
• 494210-98-9 methyl 5-chloro-2-[((trifluoromethyl)sulfonyl)oxy]benzoate 
• 21739-93-5 2-bromo-5-chlorobenzoic acid 

Downstream Products

• 439118-00-0 (2-{[(azetidine-2-carbonyl)-amino]-methyl}-4-chloro-benzyl)-carbamic acid tert-butyl ester 
• 439117-44-9 (S)-tert-butyl 4-chloro-2-((pyrrolidine-2-carboxamido)methyl)benzylcarbamate 
• 439117-98-3 9-hydroxy-9-fluorenylcarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide 
• 439116-15-1 2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamine 
• 439117-43-8 N-fluorenylmethoxycarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide 
• 439117-99-4 1-(N (fluorenylmethoxycarbonyl)-azetidin-2S-yl-carbonylaminomethyl)-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzene 
• 439117-46-1 [4-Chloro-2-({[(S)-1-((R)-2-cyclohexyl-2-hydroxy-acetyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 486394-58-5 [4-Chloro-2-({[(S)-1-((R)-3-cyclopropyl-2-hydroxy-3-methyl-butyryl)-azetidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 439117-51-8 [4-Chloro-2-({[(S)-1-((R)-2-hydroxy-2-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 
• 439117-45-0 [4-Chloro-2-({[(S)-1-((R)-2-hydroxy-3,3-dimethyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester 

Relevant articles and documents

PYRROLIDINE THROMBIN INHIBITORS

Compounds of the invention, which may be useful in inhibiting thrombin and associated thrombotic occlusions, have the following structure: (I) or a pharmaceutically acceptable salt thereof, wherein R is a heterocycle or -(CR4R5)1-2NH2 , wherein R4 and R5,

Low molecular weight thrombin inhibitors with excellent potency, metabolic stability, and oral bioavailability

Modification of lead compound 1 by reducing lipophilicity in the P3 group produced a series of low molecular weight thrombin inhibitors with excellent potency in functional assays, metabolic stability, and oral bioavailability. These modifications led to

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, e.g. 1-(3(S)-Cyclopropyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide, and 1-(3-Cyclopropyl-3-methyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide.