208113-91-1

Basic information

• Product Name: (R)-3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-butyric acid
• CAS NO: 208113-91-1
• Molecular Weight: 229.276
• Mol File: 208113-91-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (R)-3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-butyric acid(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-butyric acid(208113-91-1)
• EPA Substance Registry System: (R)-3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-butyric acid(208113-91-1)

Safety Data

• Hazardous Substances Data: 208113-91-1(Hazardous Substances Data)

Upstream product

• 208113-74-0 (S)-3-Methyl-2-trifluoromethanesulfonyloxy-butyric acid methyl ester 
• 220498-08-8 (R)-3-(methoxycarbonyl)-4-methylpentanoic acid 
• 148773-91-5 (R)-1-(methoxycarbonyl)-2-methylpropyl trifluoromethanesulfonate 
• 90244-32-9 (R)-methyl 2-hydroxy-3-methylbutanoate 
• 24347-63-5 methyl (S)-2-hydroxy-3-methylbutanoate 

Relevant articles and documents

Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones

A series of P2-modified, orally active peptidic inhibitors of human neutrophil elastase (HNE) are reported. These pentafluoroethyl ketone-based inhibitors were designed using pentafluoroethyl ketone 1 as a model. Rational structural modifications were made at the P3, P2, and activating group (A(G)) portions of 1 based on structure-activity relationships (SAR) developed from in vitro (measured K(i)) data and information provided by modeling studies that docked inhibitor 1 into the active site of HNE. The modeling-based design was corroborated with X-ray crystallographic analysis of the complex between 1 and porcine pancreatic elastase (PPE) and subsequently the complex between 1 and HNE.