81743-95-5

Basic information

• Product Name: 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one
• Synonyms: 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one
• CAS NO: 81743-95-5
• Molecular Formula: C₁₃H₈FNOSe
• Molecular Weight: 292.1671
• Mol File: 81743-95-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 160-161 °C
• Boiling Point: 398.6°Cat760mmHg
• Flash Point: 194.8°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 1.46E-06mmHg at 25°C
• PKA: -0?+-.0.20(Predicted)
• CAS DataBase Reference: 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one(81743-95-5)
• EPA Substance Registry System: 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one(81743-95-5)

Safety Data

• Hazardous Substances Data: 81743-95-5(Hazardous Substances Data)

Usage

Compound type

Organic compound, benzisoselenazolone derivative

Contains

Selenium atom, fluorophenyl group

Potential use

Drug candidate for the treatment of various diseases, including cancer and neurodegenerative disorders

Properties

Potent antioxidant and anti-inflammatory properties

Preclinical studies

Shown to have potential therapeutic effects and promising results

Field of interest

Medicinal chemistry research

InChI:InChI=1/C13H8FNOSe/c14-10-6-2-3-7-11(10)15-13(16)9-5-1-4-8-12(9)17-15/h1-8H

Upstream product

• 348-54-9 2-Fluoroaniline 
• 609-67-6 2-Iodobenzoyl chloride 
• 333349-08-9 2-iodo-N-(2-fluorophenyl)benzamide 

Relevant articles and documents

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.

SUBSTITUTED ISOSELENAZOLONE ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS

Compounds, compositions, and methods for the treatment of infections, inflammation, cancers, tinnitus, Meniere's disease, hearing loss, or bipolar disorder, or for providing cytoprotection against Clostridium difficile toxins, are disclosed.