857904-03-1

Basic information

• Product Name: 12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-diMethylethyl)-8-hydroxy-13,13-diMethyl-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-, Methyl ester, (3S,8S,9S)-
• Synonyms: 12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-diMethylethyl)-8-hydroxy-13,13-diMethyl-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-, Methyl ester, (3S,8S,9S)-
• CAS NO: 857904-03-1
• Molecular Formula: C₃₅H₄₇N₅O₆
• Molecular Weight: 633.77758
• Mol File: 857904-03-1.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-diMethylethyl)-8-hydroxy-13,13-diMethyl-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-, Methyl ester, (3S,8S,9S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-diMethylethyl)-8-hydroxy-13,13-diMethyl-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-, Methyl ester, (3S,8S,9S)-(857904-03-1)
• EPA Substance Registry System: 12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-diMethylethyl)-8-hydroxy-13,13-diMethyl-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-, Methyl ester, (3S,8S,9S)-(857904-03-1)

Safety Data

• Hazardous Substances Data: 857904-03-1(Hazardous Substances Data)

Usage

Description

12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-dimethylethyl)-8-hydroxy-13,13-dimethyl-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, methyl ester, (3S,8S,9S)is a complex organic compound that serves as an intermediate in the synthesis of Atazanavir-d9, a deuterated analog of Atazanavir. Atazanavir is an azapeptide HIV protease inhibitor derivative that has been investigated for its potential in treating human immunodeficiency virus (HIV) and for anticancer purposes.

Uses

Used in Pharmaceutical Industry:
12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-dimethylethyl)-8-hydroxy-13,13-dimethyl-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, methyl ester, (3S,8S,9S)is used as an intermediate in the synthesis of Atazanavir-d9 for its potential applications in treating human immunodeficiency virus (HIV) and for anticancer purposes. 12-Oxa-2,5,6,10-tetraazatetradecanoic acid, 3-(1,1-diMethylethyl)-8-hydroxy-13,13-diMethyl-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-, Methyl ester, (3S,8S,9S)plays a crucial role in the development of new therapeutic agents that can target and inhibit the replication of HIV and cancer cells, offering potential benefits in the treatment of these diseases.

Upstream product

• 857904-02-0 {(S)-2,2-dimethyl-1-[N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-propyl}-carbamic acid methyl ester 
• 98760-08-8 (2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane 
• 920757-34-2 1-(4-(pyridin-2-yl)benzyl)hydrazine 
• 162537-11-3 (S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid 
• 198904-85-7 N-1-(tert-butoxycarbonyl)-N-2-[4-(pyridine-2-yl)benzyl]hydrazine 
• 98760-08-8 (1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester 
• 20859-02-3 L-tert-Leucine 
• 198904-77-7 (S)-N'-(2-methoxycarbonylamino-3,3-dimethyl-butyryl)-hydrazinecarboxylic acid tert-butyl ester 
• 198904-78-8 methyl (S)-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)carbamate 
• 857904-01-9 Methyl (1S)-2,2-dimethyl-1-({(2E)-2-[4-(2-pyridinyl)benzylidene]hydrazino}carbonyl)propylcarbamate 

Downstream Products

• 857900-54-0 {(S)-1-[N'-((2S,3S)-3-amino-2-hydroxy-4-phenyl-butyl)-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester 
• 198904-31-3 atazanavir 
• 1313358-26-7 methyl (1R,3S)-3-((2S,3S)-3-hydroxy-4-(2-((S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl)-1-(4-(pyridin-2-yl)benzyl)hydrazinyl)-1-phenylbutan-2-ylcarbamoyl)-2,2-dimethylcyclobutylcarbamate 
• 1313358-27-8 methyl (S)-1-(2-((2S,3S)-3-((1S,3R)-3-(tert-butoxycarbonylamino)-2,2-dimethylcyclobutanecarboxamido)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate 
• 1313358-28-9 methyl (S)-1-(2-((2S,3S)-3-((1S,3R)-3-acetamido-2,2-dimethylcyclobutanecarboxamido)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate 
• 1313358-29-0 methyl (S)-1-(2-((2S,3S)-2-hydroxy-3-((1R,3S)-3-(methoxycarbonylamino)-2,2-dimethylcyclobutanecarboxamido)-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate 
• 1313358-30-3 methyl (S)-1-(2-((2S,3S)-3-((1R,3S)-3-(tert-butoxycarbonylamino)-2,2-dimethylcyclobutanecarboxamido)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate 
• 1313358-31-4 methyl (S)-1-(2-((2S,3S)-3-((1R,3S)-3-(benzyloxycarbonylamino)-2,2-dimethylcyclobutanecarboxamido)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate 

Relevant articles and documents

NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS

The present invention relates to novel aza-peptides containing 2,2-disubstituted 5 cyclobutyl and/or substituted alkoxy benzyl derivatives of formula (I) and compositions for inhibiting Human Immunodeficiency Virus (HIV) and process for making the compounds.

HIV PROTEASE INHIBITING COMPOUNDS

A compound of the formula (I) is disclosed as an HIV protease inhibitor. Methods and compositions for inhibiting an HIV infection are also disclosed.

A facile and efficient synthesis of d3-labelled Reyataz

A facile and efficient synthesis of d3-labelled Reyataz is described. The key step of synthesis involved the coupling of N-(d 3-methoxycarbonyl)-L-tert-leucine 2b with an advanced chiral non-racemic building block 4. The latter was synthesized in 4 steps from the readily accessible hydrazine derivative 8. Copyright