141171-77-9

Basic information

• Product Name: N~1~-{(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-N~2~-[(naphthalen-1-yloxy)acetyl]-L-aspartamide
• CAS NO: 141171-77-9
• Molecular Formula: C₃₅H₄₃N₅O₇
• Molecular Weight: 645.7452
• Mol File: 141171-77-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 1058.8°C at 760 mmHg
• Flash Point: 594.1°C
• Density: 1.273g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.609
• CAS DataBase Reference: N~1~-{(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-N~2~-[(naphthalen-1-yloxy)acetyl]-L-aspartamide(CAS DataBase Reference)
• NIST Chemistry Reference: N~1~-{(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-N~2~-[(naphthalen-1-yloxy)acetyl]-L-aspartamide(141171-77-9)
• EPA Substance Registry System: N~1~-{(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-N~2~-[(naphthalen-1-yloxy)acetyl]-L-aspartamide(141171-77-9)

Safety Data

• Hazardous Substances Data: 141171-77-9(Hazardous Substances Data)

Upstream product

• 2976-75-2 1-Naphthoxyacetic acid 
• 153380-41-7 (S)-2-Amino-N¹-[(1S,2S)-1-benzyl-3-((S)-2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-hydroxy-3-oxo-propyl]-succinamide 
• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 
• 139694-65-8 (S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-benzyloxycarbonylaminosuccinamyl]amino-4-phenylbutanoyl]pyrrolidine-2-carboxamide 
• 139069-60-6 (3S,2S)-3-amino-2-hydroxy-4-phenylbutyric acid methyl ester 
• 143978-10-3 Z-Asn-(2S,3S)-AHPBA-OH 
• 126015-23-4 (2S,3S)-3-[[(benzyloxy)carbonyl]amino]-2-hydroxy-4-phenylbutanoic acid methyl ester 
• 143934-31-0 (S)-N-tert-butyl-3-[(2S,3S)-3-[(S)-2-(tert-butoxycarbonyl)aminosuccinamyl]amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxamide 
• 143935-61-9 [(1S,2S)-1-Benzyl-3-((S)-2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-hydroxy-3-oxo-propyl]-carbamic acid tert-butyl ester 
• 153380-43-9 (S)-N-tert-butyl-1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxamide 
• 128018-18-8 L-proline tert-butylamide 
• 68030-64-8 (1S)-2-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

Structure-activity relationship of orally potent tripeptide-based HIV protease inhibitors containing hydroxymethylcarbonyl isostere

We designed and synthesized a new class of peptidomimetic human immunodeficiency virus protease inhibitors containing a unique unnatural amino acid, allophenylnorstatine [Apns; (2S,3S)-3-amino-2-hydroxy-4-phenylbutyric acid], with a hydroxymethylcarbonyl isostere as the active moiety. From a structure-activity relationship study of HIV-1 protease inhibition, enzyme selectivity for other aspartyl proteases, the antiviral activity and pharmacokinetics in rats, 24c (KNI-227) and 24d (KNI-272, our first clinical candidate) were found to be selective and orally potent HIV protease inhibitors. Moreover, an improvement of the pharmacokinetic features of KNI-272 provided two long-lasting and highly bioavailable compounds (24g: JE-2178,h: JE-2179).