1160490-11-8

Basic information

• Product Name: 2-METHYLSULFANYL-BENZOOXAZOLE-6-CARBOXYLIC ACID METHYL ESTER
• Synonyms: 2-METHYLSULFANYL-BENZOOXAZOLE-6-CARBOXYLIC ACID METHYL ESTER;Methyl 2-(Methylsulfanyl)-1,3-benzoxazole-6- carboxylate;Methyl 2-(Methylthio)benzo[d]oxazole-6-carboxylate;2-(Methylthio)-6-benzoxazolecarboxylic acid methyl ester
• CAS NO: 1160490-11-8
• Molecular Formula: C₁₀H₉NO₃S
• Molecular Weight: 223.24836
• Mol File: 1160490-11-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 349.4±34.0 °C(Predicted)
• Appearance: /
• Density: 1.34±0.1 g/cm3(Predicted)
• PKA: -0.22±0.30(Predicted)
• CAS DataBase Reference: 2-METHYLSULFANYL-BENZOOXAZOLE-6-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYLSULFANYL-BENZOOXAZOLE-6-CARBOXYLIC ACID METHYL ESTER(1160490-11-8)
• EPA Substance Registry System: 2-METHYLSULFANYL-BENZOOXAZOLE-6-CARBOXYLIC ACID METHYL ESTER(1160490-11-8)

Safety Data

• Hazardous Substances Data: 1160490-11-8(Hazardous Substances Data)

Usage

General Description

2-Methylsulfanyl-benzooxazole-6-carboxylic acid methyl ester is a chemical compound with the molecular formula C11H9NO3S. It is a methyl ester derivative of 2-methylsulfanyl-benzooxazole-6-carboxylic acid and belongs to the oxazole class of compounds. This chemical has potential applications in the pharmaceutical industry, particularly in drug discovery and development. It is also used in research and laboratory settings for the synthesis of various organic compounds. The methyl ester group in this compound makes it more stable and easier to handle in practical applications. Overall, 2-Methylsulfanyl-benzooxazole-6-carboxylic acid methyl ester has important chemical and pharmaceutical applications, making it a valuable compound in various industries.

Upstream product

• 536-25-4 methyl 3-amino-4-hydroxybenzoate 
• 72730-39-3 methyl 2-thioxo-2,3-dihydrobenzo[d]oxazole-5-carboxylate 
• 74-88-4 methyl iodide 
• 2374-03-0 4-aminosalicylic acid 
• 72752-81-9 methyl 2-mercapto-1,3-benzoxazole-6-carboxylate 
• 63435-16-5 3-hydroxy-4-aminobenzoic acid methyl ester 

Relevant articles and documents

Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine

Proteome profiling by activated esters identified >9000 ligandable lysines but they are limited as covalent inhibitors due to poor hydrolytic stability. Here we report our efforts to design and discover a new series of tunable amine-reactive electrophiles (TAREs) for selective and robust labeling of lysine. The major challenges in developing selective probes for lysine are the high nucleophilicity of cysteines and poor hydrolytic stability. Our work circumvents these challenges by a unique design of the TAREs that form stable adducts with lysine and on reaction with cysteine generate another reactive electrophiles for lysine. We highlight that TAREs exhibit substantially high hydrolytic stability as compared to the activated esters and are non-cytotoxic thus have the potential to act as covalent ligands. We applied these alternative TAREs for the intracellular labeling of proteins in different cell lines, and for the selective identification of lysines in the human proteome on a global scale.

Benzoxazole and benzothiazole amides as novel pharmacokinetic enhancers of HIV protease inhibitors

A new class of benzoxazole and benzothiazole amide derivatives exhibiting potent CYP3A4 inhibiting properties was identified. Extensive lead optimization was aimed at improving the CYP3A4 inhibitory properties as well as overall ADME profile of these amide derivatives. This led to the identification of thiazol-5-ylmethyl (2S,3R)-4-(2-(ethyl(methyl)amino)-N-isobutylbenzo[d]oxazole- 6-carboxamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate (C1) as a lead candidate for this class. This compound together with structurally similar analogues demonstrated excellent 'boosting' properties when tested in dogs. These findings warrant further evaluation of their properties in an effort to identify valuable alternatives to Ritonavir as pharmacokinetic enhancers.