221553-72-6

Basic information

• Product Name: Lopinavir Metabolite M-3/M-4
• Synonyms: (aS)-N-[(1S,3S,4S)-4-[[(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-4-hydroxy-a-(1-methylethyl)-2-oxo-1(2H)-Pyrimidine-acetamid;Lopinavir Metabolite M-3/M-4;(aS)-N-[(1S,3S,4S)-4-[[(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-4-hydroxy-α-(1-methylethyl)-2-oxo-1(2H)-Pyrimidine-acetamide;(aS)-N-[(1S,3S,4S)-4-[[(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-4-hydroxy-a-(1-methylethyl)-2-oxo-1(2H)-Pyrimidine-acetamide
• CAS NO: 221553-72-6
• Molecular Formula: C37H48N4O6
• Molecular Weight: 644.808
• Product Categories: Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Non-nucleoside Reverse Transcriptase;Pharmaceuticals
• Mol File: 221553-72-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 957.204°C at 760 mmHg
• Flash Point: 532.698°C
• Appearance: /
• Density: 1.2g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.588
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: Lopinavir Metabolite M-3/M-4(CAS DataBase Reference)
• NIST Chemistry Reference: Lopinavir Metabolite M-3/M-4(221553-72-6)
• EPA Substance Registry System: Lopinavir Metabolite M-3/M-4(221553-72-6)

Safety Data

• Hazardous Substances Data: 221553-72-6(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 221553-72-6 differently. You can refer to the following data:
1. A major metabolite of Lopinavir
2. Lopinavir Metabolite M-3/M-4 is a major metabolite of an HIV-1 protease inhibitor, Lopinavir. It is a COVID19-related research product.

InChI:InChI=1/C37H48N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-32,34,42-43H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/t29?,30?,31-,32?,34-/m0/s1

Upstream product

• 192725-49-8 (2S,3S,5S)-2-(2,6-dimethylphenoxyacetyl)amino-3-hydroxy-5-amino-1,6-diphenylhexane 
• 192725-88-5 (S)-2-(2,4-dioxotetrahydropyrimidin-1-yl)-3-methylbutyric acid tert-butyl ester 
• 192725-87-4 N-(2-carboxamido)ethyl-L-valine t-butyl ester 
• 192725-86-3 N-(2-carbomethoxy)ethyl-L-valine t-butyl ester 
• 192725-89-6 (S)-2-(2,4-dioxotetrahydropyrimidin-1-yl)-3-methylbutyric acid 
• 13335-71-2 2-(2,6-dimethylphenoxy)acetic acid 
• 13211-31-9 tert-butyl L-valinate 
• 192725-39-6 4-Oxo-ABT-378 

Relevant articles and documents

Synthesis and antiviral activities of the major metabolites of the HIV protease inhibitor ABT-378 (Lopinavir)

The HIV protease inhibitor ABT-378 (Lopinavir) is metabolized rapidly and extensively by CYP-3A4 catalyzed oxidation. Three of the major metabolites identified were synthesized and their antiviral (HIV) activities determined.