1608150-72-6

Basic information

• Product Name: tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)(tert-butoxycarbonyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate
• Synonyms: tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)(tert-butoxycarbonyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate
• CAS NO: 1608150-72-6
• Molecular Weight: 839.088
• Mol File: 1608150-72-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)(tert-butoxycarbonyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)(tert-butoxycarbonyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate(1608150-72-6)
• EPA Substance Registry System: tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)(tert-butoxycarbonyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate(1608150-72-6)

Safety Data

• Hazardous Substances Data: 1608150-72-6(Hazardous Substances Data)

Upstream product

• 1608150-71-5 tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)(tert-butoxycarbonyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate 
• 1020415-08-0 (4-((((benzyloxy)carbonyl)amino)methyl)phenyl)methanol 
• 39895-56-2 4-hydroxymethyl-benzylamine 
• 1608150-70-4 tert-butyl ((S)-1-(((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-7-(2-((4-((((benzyloxy)carbonyl)amino)methyl)benzyl)amino)ethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-6-yl)amino)-1-oxobutan-2-yl)(methyl)carbamate 
• 159730-67-3 [(4-formylphenyl)methyl]-carbamic acid phenylmethyl ester 

Downstream Products

• 1608150-73-7 4-((4-(((2-((3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-((S)-2-((tertbutoxycarbonyl)(methyl)amino)butanamido)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepin-7-yl)ethyl)(tert-butoxycarbonyl)amino)methyl)benzyl)amino)-4-oxobutanoic acid 

Relevant articles and documents

Synthesis and biological evaluation of dual action cyclo-RGD/SMAC mimetic conjugates targeting αvβ3/α vβ5 integrins and IAP proteins

The rational design, synthesis and in vitro biological evaluation of dual action conjugates 11-13, containing a tumour targeting, integrin αvβ3/αvβ5 ligand portion and a pro-apoptotic SMAC mimetic portion (cyclo-RGD/SMAC mimetic conjugates) are reported. The binding strength of the two separate units is generally maintained by these dual action conjugates. In particular, the connection between the separate units (anchor points on each unit; nature, length and stability of the linker) influences the activity of each portion against its molecular targets (integrins αvβ3/ αvβ5 for cyclo-RGD, IAP proteins for SMAC mimetics). Each conjugate portion tolerates different substitutions while preserving the binding affinity for each target.