81744-13-0

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

• 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 
• 134-20-3 2-carbomethoxyaniline 

Relevant academic research and scientific papers

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

Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors

The emergence of a new coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), presents an urgent public health crisis. Without available targeted therapies, treatment options remain limited for COVID-19 patients. Using medicinal chemistry and rational drug design strategies, we identify a 2-phenyl-1,2-benzoselenazol-3-one class of compounds targeting the SARS-CoV-2 main protease (Mpro). FRET-based screening against recombinant SARS-CoV-2 Mpro identified six compounds that inhibit proteolysis with nanomolar IC50 values. Preincubation dilution experiments and molecular docking determined that the inhibition of SARS-CoV-2 Mpro can occur by either covalent or noncovalent mechanisms, and lead E04 was determined to inhibit Mpro competitively. Lead E24 inhibited viral replication with a nanomolar EC50 value (844 nM) in SARS-CoV-2-infected Vero E6 cells and was further confirmed to impair SARS-CoV-2 replication in human lung epithelial cells and human-induced pluripotent stem cell-derived 3D lung organoids. Altogether, these studies provide a structural framework and mechanism of Mpro inhibition that should facilitate the design of future COVID-19 treatments.

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.