136630-91-6

Basic information

• Product Name: 2-<<<(4S,5S)-4-benzyl-2,2-dimethyl-5-oxazolidinyl>methyl>thio>acetic acid
• Synonyms: 2-<<<(4S,5S)-4-benzyl-2,2-dimethyl-5-oxazolidinyl>methyl>thio>acetic acid
• CAS NO: 136630-91-6
• Molecular Weight: 395.52
• Mol File: 136630-91-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-<<<(4S,5S)-4-benzyl-2,2-dimethyl-5-oxazolidinyl>methyl>thio>acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-<<<(4S,5S)-4-benzyl-2,2-dimethyl-5-oxazolidinyl>methyl>thio>acetic acid(136630-91-6)
• EPA Substance Registry System: 2-<<<(4S,5S)-4-benzyl-2,2-dimethyl-5-oxazolidinyl>methyl>thio>acetic acid(136630-91-6)

Safety Data

• Hazardous Substances Data: 136630-91-6(Hazardous Substances Data)

Upstream product

• 136630-89-2 (4S,5S)-4-benzyl-5-(bromomethyl)-3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidine 
• 136630-88-1 (4S,5R)-4-benzyl-5-(bromomethyl)-3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidine 
• 13734-34-4 N-tert-butoxycarbonyl-L-phenylalanine 
• 68709-71-7 tert-butyl 4-bromo-3-oxo-1-phenylbutan-2-ylcarbamate 
• 60398-41-6 (3S)-tert-butyl 1-benzyl-3-diazo-2-oxopropylcarbamate 
• 67729-36-6 Boc-Phe-O-COO-isoBu 
• 136630-87-0 (2S,3S)-1-bromo-3-<(tert-butoxycarbonyl)amino>-4-phenyl-2-butanol 

Downstream Products

• 120451-91-4 BOC-PheΨ<(S)-CHOHCH2S>Gly-ACHPA-Ile N-<(4-amino-2-methyl-5-pyrimidinyl)methyl>amide 
• 136658-80-5 N_α-methyl>thio>acetyl>ACHPA>Ile N-<(4-amino-2-methyl-5-pyrimidinyl)methyl>amide 

Relevant articles and documents

Substrate Analogue Renin Inhibitors Containing Replacements of Histidine in P2 or Isosteres of the Amide Bond between P3 and P2 Sites

Incorporation of β-alanine or γ-aminobutyric acid in position P2 of ACHPA or LeuΨVal-based tetrapeptides gave highly active renin inhibitors (compounds V,VI, and XVII) with high specificity for renin and a remarkable stability against chymotrypsin.Replacement of the amide bond between P2 and P3 by isosteres (ketomethylenes, hydroxyethylenes, and the corresponding thio-insertion analogues) led to compounds (VIII-XIII, XVIII, and XIX) with renin inhibitory activity in the nanomolar range.Oral activity was achieved by incorporation of polar functionalities at the N-terminus of β-alanine-containing tetrapeptides.One of these compounds (XXVIII) was chosen for further studies.This inhibitor demonstrated excellent efficacy and a long duration of action after intravenous and oral administration to cynomolgus monkeys.