117085-60-6

Basic information

• Product Name: 2,3-dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1H-indole-2-carboxylic acid
• Synonyms: 2,3-dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1H-indole-2-carboxylic acid
• CAS NO: 117085-60-6
• Molecular Formula: C₂₅H₃₃N₂O₆P
• Molecular Weight: 488.51
• Mol File: 117085-60-6.mol

Chemical Properties

• Boiling Point: 761.1°Cat760mmHg
• Flash Point: 414.1°C
• Appearance: /
• Density: 1.292g/cm³
• Vapor Pressure: 2.36E-24mmHg at 25°C
• Refractive Index: 1.592
• CAS DataBase Reference: 2,3-dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1H-indole-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1H-indole-2-carboxylic acid(117085-60-6)
• EPA Substance Registry System: 2,3-dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1H-indole-2-carboxylic acid(117085-60-6)

Safety Data

• Hazardous Substances Data: 117085-60-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C25H33N2O6P/c26-16-8-6-15-23(33-34(31,32)17-9-7-12-19-10-2-1-3-11-19)24(28)27-21-14-5-4-13-20(21)18-22(27)25(29)30/h1-5,10-11,13-14,22-23H,6-9,12,15-18,26H2,(H,29,30)(H,31,32)/t22-,23-/m0/s1

Upstream product

• 117085-70-8 (S)-1-[(S)-6-Benzyloxycarbonylamino-2-(4-phenyl-butylphosphinoyloxy)-hexanoyl]-2,3-dihydro-1H-indole-2-carboxylic acid benzhydryl ester 
• 117085-66-2 *,R^*)>-2,3-dihydro-1-<2-hydroxy-1-oxo-6-<<(phenylmethoxy)carbonyl>amino>hexyl>-1H-indole-2-carboxylic acid diphenylmethyl ester 
• 117085-65-1 *,R^*)>-1-<2-(2,2-dimethyl-1-oxopropoxy)-1-oxo-6-<<(phenylmethoxy)carbonyl>amino>hexyl>-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester 
• 79854-42-5 Ethyl (S)-indoline-2-carboxylate hydrochloride 
• 126111-16-8 (S)-6-Benzyloxycarbonylamino-2-(2,2-dimethyl-propionyloxy)-hexanoic acid 
• 59221-35-1 (S)-6-[[(Phenylmethoxy)carbonyl]amino]-2-hydroxyhexanoic acid 
• 86552-32-1 (4-phenylbutyl)phosphinic acid 
• 117085-67-3 *,R^*)>-2,3-dihydro-1-<2-<oxy>-1-oxo-6-<<(phenylmethoxy)carbonyl>amino>hexyl>-1H-indole-2-carboxylic acid diphenylmethyl ester 

Relevant articles and documents

(Phosphinyloxy)acid amino acid inhibitors of angiotensin converting enzyme. 2. Terminal amino acid analogues of (S)-1-[6-Amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]- L-proline

Analogues of (S)-1-[6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]- L-proline (1, SQ 29,852) in which the terminal proline residue has been replaced by a variety of substituted and heteroatom-substituted prolines, N-arylglycines, N-cycloalkylglycines, and bicyclic amino acids have been synthesized and evaluated as inhibitors of angiotensin converting enzyme in vitro an in vivo. In general, the addition of lipophilic substituents to the 4-position of proline of the parent phosphate 1 resulted in substantial increases in vitro activity. The largest improvements were observed in the case of cis-benzyl (36-fold) and dithioketal (24-fold) analogues 2r and 2x, respectively. These enhancements of in vitro activity were accompanied by modest increases (2-3.5-fold) in in vivo (iv) activity. Among the various terminal amino acid replacements examined in this study, the indoline-based analogue 2i was by far the most potent compound on iv administration in the normotensive rat.