81744-13-0

Basic information

• Product Name: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-
• Synonyms: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-
• CAS NO: 81744-13-0
• Molecular Formula: C14H8F3NOSe
• Molecular Weight: 342.1746
• Mol File: 81744-13-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 417.7°Cat760mmHg
• Flash Point: 206.4°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 3.48E-07mmHg at 25°C
• CAS DataBase Reference: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-(81744-13-0)
• EPA Substance Registry System: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-(81744-13-0)

Safety Data

• Hazardous Substances Data: 81744-13-0(Hazardous Substances Data)

Usage

Chemical structure

Selenazolone derivative with a trifluoromethylphenyl group attached to the nitrogen atom

Potential applications

Biological and pharmaceutical

Possible properties

Antioxidant, anti-inflammatory, and antimicrobial activities

Relevance in medicinal chemistry

Potential candidate for further research and development

Selenium-containing compound

Selenazolone moiety may confer interesting properties for the study of selenium-containing compounds and their biological functions

InChI:InChI=1/C14H8F3NOSe/c15-14(16,17)9-5-7-10(8-6-9)18-13(19)11-3-1-2-4-12(11)20-18/h1-8H

Upstream product

• 134-20-3 2-carbomethoxyaniline 
• 118-92-3 anthranilic acid 
• 455-14-1 4-trifluoromethylphenylamine 
• 1441-85-6 2-(chloroseleno)benzoyl chloride 
• 1037904-52-1 C₁₄H₉F₃INO 
• 609-67-6 2-Iodobenzoyl chloride 
• 6512-83-0 2,2'-diselanediyl-di-benzoic acid 

Relevant articles and documents

Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis

Fructose-1,6-bisphosphate aldolase (FBA) represents an attractive new antifungal target. Here, we employed a structure-based optimization strategy to discover a novel covalent binding site (C292 site) and the first-in-class covalent allosteric inhibitors

Benzoselenazolone compound and application thereof and bactericide

The invention relates to the field of antifungal drugs, and discloses a benzoselenazolone compound and application thereof and a bactericide, and the benzoselenazolone compound has a structural general formula shown in a formula (I). The benzoselenazolone compound provided by the invention can take candida albicans fructose-1, 6-diphosphate aldolase (Ca-FBA-II) as a target spot to inhibit the activity of the candida albicans fructose 1, 6-diphosphate aldolase (Ca-FBA-II), and has a good resistance effect on drug-resistant bacteria generated by taking cytochrome P450 as an action target.