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

Uses

Methy (3S,8S,9S)-3-(1,1-Dimethylethyl)-8-hydroxy-13,13-dimethyl-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-12-oxa-2,5,6,10-tetraazatetradecanoic Acid Ester is an intermediate used in the synthesis of Atazanavir-d9 (A790053), which is the deuterated analog of Atazanavir (A790051), a azapeptide HIV protease inhibitor derivative. Atazanavir have been investigated as potential treatment of human immunodeficiency virus (HIV) and for anticancer purposes.

Upstream product

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

Downstream Products

• 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 
• 198904-31-3 atazanavir 
• 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 

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