380396-44-1

Basic information

• Product Name: (1-{[(4-amino-benzyl)-methyl-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester
• Synonyms: (1-{[(4-amino-benzyl)-methyl-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester
• CAS NO: 380396-44-1
• Molecular Weight: 451.566
• Mol File: 380396-44-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (1-{[(4-amino-benzyl)-methyl-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (1-{[(4-amino-benzyl)-methyl-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester(380396-44-1)
• EPA Substance Registry System: (1-{[(4-amino-benzyl)-methyl-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester(380396-44-1)

Safety Data

• Hazardous Substances Data: 380396-44-1(Hazardous Substances Data)

Upstream product

• 380396-24-7 (1-methoxycarbonylmethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester 
• 380394-64-9 [5-(2-tert-butoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl]acetic acid 
• 380394-94-5 (7-chloro-2-oxo-1,2,3,4-tetrahydro-benzo[b]azepin-5-ylidene)-acetic acid tert-butyl ester 
• 380394-62-7 (2-oxo-2,3-dihydro-1H-benzo[b]azepin-5-yl)acetic acid tert-butyl ester 
• 380394-63-8 tert-butyl (2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)acetate 
• 87-25-2 2-ethoxycarbonylaniline 
• 120572-43-2 diethyl ester of succinoylanthranilic acid 
• 80452-55-7 7-chloro-1,3,4,5-tetrahydro-2H-1-benzazepine-2,5-dione 
• 108993-98-2 2,3,-Dihydro-5-hydroxy-2-oxo-1H-1-benzazepin-4-carbonsaeureethylester 
• 16511-38-9 1H-[1]benzazepin-2,5(3H,4H)-dione 
• 5202-89-1 4-chlorobenzenesulfonyl chloride 
• 380396-43-0 (1-{[methyl-(4-nitro-benzyl)-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester 

Relevant articles and documents

Design and synthesis of 1,5- and 2,5-substituted tetrahydrobenzazepinones as novel potent and selective integrin αVβ3 antagonists

The design and synthesis of novel integrin αVβ3 antagonists based on a 1,5- or 2,5-substituted tetrahydrobenzaezpinone core is described. In vitro activity of respective compounds was determined via αVβ3 binding assay, and selected derivatives were submitted to further characterization in functional cellular assays. SAR was obtained by modification of the benzazepinone core, variation of the spacer linking guanidine moiety and core, and modification of the guanidine mimetic. These efforts led to the identification of novel αVβ3 inhibitors displaying potency in the subnanomolar range, selectivity versus αIIbβ3 and functional efficacy in relevant cellular assays. A method for the preparation of enantiomerically pure derivatives was developed, and respective enantiomers evaluated in vitro. Compounds 31 and 37 were assessed for metabolic stability, resorption in the Caco-2 assay and pharmacokinetics.