141804-42-4

Basic information

• Product Name: KNI 174
• Synonyms: KNI 174
• CAS NO: 141804-42-4
• Molecular Formula: C35H43N5O7S
• Molecular Weight: 677.819
• Mol File: 141804-42-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 1075°C at 760 mmHg
• Flash Point: 603.9°C
• Appearance: /
• Density: 1.269g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.608
• CAS DataBase Reference: KNI 174(CAS DataBase Reference)
• NIST Chemistry Reference: KNI 174(141804-42-4)
• EPA Substance Registry System: KNI 174(141804-42-4)

Safety Data

• Hazardous Substances Data: 141804-42-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C36H45N5O7S/c1-35(2,3)40-33(46)31-36(4,5)49-21-41(31)34(47)30(44)25(18-22-12-7-6-8-13-22)39-32(45)26(19-28(37)42)38-29(43)20-48-27-17-11-15-23-14-9-10-16-24(23)27/h6-17,25-26,30-31,44H,18-21H2,1-5H3,(H2,37,42)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,30?,31+/m0/s1

Upstream product

• 158941-60-7 (R)-N-tert-butyl-3-[(2S,3S)-3-[(S)-2-(tert-butoxycarbonyl)aminosuccinamyl]amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide 
• 159000-71-2 Boc-Apns-Dmt-NHtBu 
• 184955-18-8 (R)-N-tert-butyl-3-<(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoyl>-5,5-dimethyl-1,3-thiazolidine-4-carboxamide 
• 148983-13-5 (R)-4-tert-Butylcarbamoyl-5,5-dimethyl-thiazolidine-3-carboxylic acid tert-butyl ester 
• 117918-23-7 (R)-3-tert-butoxycarbonyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 
• 158941-58-3 (R)-N-tert-butyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide 
• 2976-75-2 1-Naphthoxyacetic acid 
• 792881-10-8 (S)-2-Amino-N¹-[(1S,2S)-1-benzyl-3-((R)-4-tert-butylcarbamoyl-5,5-dimethyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-succinamide 

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).