139934-80-8

Basic information

• Product Name: {4-[(2R,4S,5S)-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-2-{[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-6-phenylhexyl]phenoxy}acetic acid
• CAS NO: 139934-80-8
• Molecular Formula: C₃₅H₄₂N₂O₈
• Molecular Weight: 618.7166
• Mol File: 139934-80-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 898.2°C at 760 mmHg
• Flash Point: 497°C
• Density: 1.29g/cm³
• Vapor Pressure: 1.06E-34mmHg at 25°C
• Refractive Index: 1.623
• CAS DataBase Reference: {4-[(2R,4S,5S)-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-2-{[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-6-phenylhexyl]phenoxy}acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: {4-[(2R,4S,5S)-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-2-{[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-6-phenylhexyl]phenoxy}acetic acid(139934-80-8)
• EPA Substance Registry System: {4-[(2R,4S,5S)-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-2-{[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-6-phenylhexyl]phenoxy}acetic acid(139934-80-8)

Safety Data

• Hazardous Substances Data: 139934-80-8(Hazardous Substances Data)

Usage

General Description

The chemical "{4-[(2R,4S,5S)-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-2-{[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-6-phenylhexyl]phenoxy}acetic acid" is a complex compound with multiple functional groups. It contains a phenyl ring, an acetic acid moiety, and a dihydro-1H-inden-1-yl group. Additionally, it has a tert-butoxycarbonyl-protected amino group and a hydroxyl group. The compound has a long aliphatic chain with a hydroxy and amino group, and it is likely to have biological activity due to its complex structure. {4-[(2R,4S,5S)-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-2-{[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-6-phenylhexyl]phenoxy}acetic acid may have potential applications in medicinal chemistry and drug development due to its unique structure and multiple functional groups.

Upstream product

• 140468-56-0 (L)-phenylalanine <2(R)-hydroxy-1(S)-indanyl>amide 
• 126410-44-4 L-692048 
• 138498-62-1 N-(2(R)-hydroxy-1(S)-indanyl)-5(S)-[1,1-dimethylethoxy-carbonylamino]-4(S)-hydroxy-6-phenyl-2(R)-(4-hydroxyphenylmethyl) hexanamide 
• 126410-42-2 5(S)-<(tert-butyloxycarbonyl)amino>-4(S)-<(tert-butyldimethylsilyl)oxy>-6-phenyl-2(R)-<<4-(benzyloxy)phenyl>methyl>hexanoic acid 
• 142526-87-2 5(S)-(Boc-amino)-4(S)-hydroxy-6-phenyl-2(R)-[(p-benzyloxyphenyl)methyl]-hexanoic acid 
• 140468-58-2 [(R)-1-((1S,2R)-2-Hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester 
• 7480-35-5 (1S,2R)-1-amino-2-indanol 
• 7480-35-5 trans-1-aminoindan-2-ol 
• 7480-35-5 (+/-)-cis-1-amino-indan-2-ol 
• 140468-61-7 {4-[(2R,4S,5S)-5-tert-Butoxycarbonylamino-4-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-6-phenyl-hexyl]-phenoxy}-acetic acid ethyl ester 
• 138499-15-7 [(1S,2S,4R)-1-Benzyl-5-(4-benzyloxy-phenyl)-2-(tert-butyl-dimethyl-silanyloxy)-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-pentyl]-carbamic acid tert-butyl ester 
• 140468-55-9 2-phenyl-3a,8a-dihydro-8(H)-indeno<1,2-d>oxazole 

Relevant articles and documents

Synthesis and antiviral activity of a series of HIV-1 protease inhibitors with functionality tethered to the P1 or P1'phenyl substituents: X-ray crystal structure assisted design

By tethering of a polar hydrophilic group to the P1 or P1' substituent of a Phe-based hydroxyethylene isostere, the antiviral potency of a series of HIV protease inhibitors was improved. The optimum enhancement of anti-HIV activity was observed with the 4-morpholinylethoxy substituent. The substituent effect is consistent with a model derived from inhibitor docked in the crystal structure of the native enzyme. An X-ray crystal structure of the inhibited enzyme determined to 2.25 A verifies the modeling predictions.