396070-03-4

Basic information

• Product Name: Carbamic acid, [(3S)-hexahydro-2-oxo-1-(3-phenylpropyl)-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
• CAS NO: 396070-03-4
• Molecular Formula: C20H30N2O3
• Molecular Weight: 346.47
• Mol File: 396070-03-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [(3S)-hexahydro-2-oxo-1-(3-phenylpropyl)-1H-azepin-3-yl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(3S)-hexahydro-2-oxo-1-(3-phenylpropyl)-1H-azepin-3-yl]-, 1,1-dimethylethyl ester(396070-03-4)
• EPA Substance Registry System: Carbamic acid, [(3S)-hexahydro-2-oxo-1-(3-phenylpropyl)-1H-azepin-3-yl]-, 1,1-dimethylethyl ester(396070-03-4)

Safety Data

• Hazardous Substances Data: 396070-03-4(Hazardous Substances Data)

Upstream product

• 4119-41-9 1-iodo-3-phenylpropan 
• 76944-95-1 tert-butyl N-[(3S)-2-oxoazepan-3-yl]carbamate 

Relevant articles and documents

Discovery of highly potent Src SH2 binders: Structure-activity studies and X-ray structures

Optimization of the hydrophobic moiety of caprolactam/thiazepinone based compounds led to the identification of potent Src SH2 binders in two different series incorporating a phosphotyrosine group (RU 81843) or a phosphobenzoic group (RU 79181). The X-ray co-structures with the Src SH2 domain revealed different binding modes for RU 81843 and RU 79181, and an excellent fit between RU81843 and the Src SH2 protein thus explaining its high potency (9 nM, 15-fold more potent than pYEEI reference peptide).