1007881-21-1

Basic information

• Product Name: (2S,3R)-3-Methoxy-2-((Methoxycarbonyl)aMino)butanoic acid
• Synonyms: (2S,3R)-3-Methoxy-2-((Methoxycarbonyl)aMino)butanoic acid;N-(methoxycarbonyl)-O-methyl-L-threonine
• CAS NO: 1007881-21-1
• Molecular Formula: C₇H₁₃NO₅
• Molecular Weight: 191.18182
• Mol File: 1007881-21-1.mol
• Article Data: 25

Chemical Properties

• Boiling Point: 339.4±37.0 °C(Predicted)
• Appearance: /
• Density: 1.209±0.06 g/cm3(Predicted)
• PKA: 3.93±0.10(Predicted)
• CAS DataBase Reference: (2S,3R)-3-Methoxy-2-((Methoxycarbonyl)aMino)butanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (2S,3R)-3-Methoxy-2-((Methoxycarbonyl)aMino)butanoic acid(1007881-21-1)
• EPA Substance Registry System: (2S,3R)-3-Methoxy-2-((Methoxycarbonyl)aMino)butanoic acid(1007881-21-1)

Safety Data

• Hazardous Substances Data: 1007881-21-1(Hazardous Substances Data)

Usage

General Description

"(2S,3R)-3-methoxy-2-((methoxycarbonyl)amino)butanoic acid" is a chemical compound that seems to be quite complex due to its long and intricate name, which refers to its molecular structure. Its descriptors (2S,3R) refer to its two distinct stereocenters, indicating it's a chiral molecule - meaning it cannot be superimposed on its mirror image. It includes several types of functional groups like ester (methoxycarbonyl), ether (methoxy), carboxylic acid (butanoic acid) and amine (amino). This suggests the compound may exhibit several kinds of chemical behavior and potential applications in different areas of study such as pharmaceuticals, biochemistry or material science. The specifics of these potential applications would be defined by further research and experimentation.

Upstream product

• 4144-02-9 O-methyl-L-threonine 
• 79-22-1 methyl chloroformate 
• 2076-53-1 O-methyl-L-threonine 
• 1352212-74-8 methyl N-(methoxycarbonyl)-O-methyl-L-threoninate 
• 111398-44-8 N-methoxycarbonyl-L-valine 
• 3373-59-9 L-threonine methyl ester 
• 1396972-31-8 (2R,3R)-2-(tert-butoxycarbonylamino)-3-methoxybutanoic acid 

Downstream Products

• 1377050-38-8 methyl {(1R)-2-[(2S,4S)-2-(9-{2-[(2S)-1-{(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4′,3′:6,7]naphtho[1,2-d]imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl}carbamate 
• 1377050-89-9 methyl {(1R)-2-[(2S)-2-(5-{2-[(2S,4S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methoxybutanoyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1,11-dihydroisochromeno[4′,3′:6,7]naphtho[1,2-d]imidazol-9-yl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl}carbamate 

Relevant articles and documents

Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530)

Curative interferon and ribavirin sparing treatments for hepatitis C virus (HCV)-infected patients require a combination of mechanistically orthogonal direct acting antivirals. A shared component of these treatments is usually an HCV NS5A inhibitor. First generation FDA approved treatments, including the component NS5A inhibitors, do not exhibit equivalent efficacy against HCV virus genotypes 1-6. In particular, these first generation NS5A inhibitors tend to select for viral drug resistance. Ombitasvir is a first generation HCV NS5A inhibitor included as a key component of Viekira Pak for the treatment of patients with HCV genotype 1 infection. Since the launch of next generation HCV treatments, functional cure for genotype 1-6 HCV infections has been achieved, as well as shortened treatment duration across a wider spectrum of genotypes. In this paper, we show how we have modified the anchor, linker, and end-cap architecture of our NS5A inhibitor design template to discover a next generation NS5A inhibitor pibrentasvir (ABT-530), which exhibits potent inhibition of the replication of wild-type genotype 1-6 HCV replicons, as well as improved activity against replicon variants demonstrating resistance against first generation NS5A inhibitors.

HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS

A series of hepatitis C virus (HCV) inhibitors and compositions and applications thereof in the preparation of drugs for treating chronic HCV infection. Especially, a series of compounds that are used as NS5A inhibitors, and compositions and uses thereof in the preparations of drugs.

Matched and mixed cap derivatives in the tetracyclic indole class of HCV NS5A inhibitors

A matched and mixed capping SAR study was conducted on the tetracyclic indole class of HCV NS5A inhibitors to examine the influence of modifications of this region on the overall HCV virologic resistance profiles.