139238-61-2

Basic information

• Product Name: 4-cyclohexyl-2-hydroxy-3-((2-((2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl)amino)pentanoyl)amino)butyric acid isopropyl ester
• Synonyms: 4-cyclohexyl-2-hydroxy-3-((2-((2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl)amino)pentanoyl)amino)butyric acid isopropyl ester
• CAS NO: 139238-61-2
• Molecular Formula: C₃₅H₄₇N₃O₆
• Molecular Weight: 0
• Mol File: 139238-61-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 848°Cat760mmHg
• Flash Point: 466.7°C
• Appearance: /
• Density: 1.178g/cm³
• Vapor Pressure: 1.4E-30mmHg at 25°C
• Refractive Index: 1.565
• CAS DataBase Reference: 4-cyclohexyl-2-hydroxy-3-((2-((2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl)amino)pentanoyl)amino)butyric acid isopropyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-cyclohexyl-2-hydroxy-3-((2-((2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl)amino)pentanoyl)amino)butyric acid isopropyl ester(139238-61-2)
• EPA Substance Registry System: 4-cyclohexyl-2-hydroxy-3-((2-((2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl)amino)pentanoyl)amino)butyric acid isopropyl ester(139238-61-2)

Safety Data

• Hazardous Substances Data: 139238-61-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C35H47N3O6/c1-4-13-28(32(40)37-29(20-24-14-7-5-8-15-24)31(39)35(43)44-23(2)3)36-33(41)30(21-25-16-9-6-10-17-25)38-22-26-18-11-12-19-27(26)34(38)42/h6,9-12,16-19,23-24,28-31,39H,4-5,7-8,13-15,20-22H2,1-3H3,(H,36,41)(H,37,40)

Upstream product

• 105776-76-9 (S)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionic acid 
• 137282-25-8 (S)-3-((S)-2-Amino-pentanoylamino)-4-cyclohexyl-2-hydroxy-butyric acid isopropyl ester; compound with trifluoro-acetic acid 
• 4122-56-9 methyl o-formylbenzoate 
• 63-91-2 L-phenylalanine 

Relevant articles and documents

New Modified Heterocyclic Phenylalanine Derivatives. Incorporation into Potent Inhibitors of Human Renin

Modified heterocyclic phenylalanine analogues designed as replacements for the P3-P4 region were synthesized and incorporated into renin inhibitors.These inhibitors were found to have significant activity versus human recombinant renin, as well as in vivo activity.The compounds proved to be very resistant to chymotrypsin degradation, as exemplified by compound 8, which remained greater than 60percent intact after a 24-h exposure to chymotrypsin.In contrast, the Boc-Phe analogue was nearly completely degraded after 1 h.Compound 6 proved to be the most potent renin inhibitor with an IC50=8.9 nM.These stable cyclized phenylalanines should prove to be generally useful as a substitute for Boc-Phe in protease inhibitors.