81743-89-7

Basic information

• Product Name: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-
• Synonyms: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-
• CAS NO: 81743-89-7
• Molecular Formula: C₁₃H₈FNOSe
• Molecular Weight: 292.1671
• Mol File: 81743-89-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 419°Cat760mmHg
• Flash Point: 207.2°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 3.14E-07mmHg at 25°C
• CAS DataBase Reference: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-(81743-89-7)
• EPA Substance Registry System: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-(81743-89-7)

Safety Data

• Hazardous Substances Data: 81743-89-7(Hazardous Substances Data)

Usage

Chemical structure

A derivative of benzisoselenazol with a fluorophenyl group attached to the 2-position.

Molecular weight

Approximately 232.2 g/mol

Functional groups

Benzisoselenazol core
Fluorophenyl group
2H-one (indicating the presence of a ketone group)

Potential applications

Development of pharmaceuticals
Biologically active compounds

Pharmacological and biological activities

Due to its unique structural features, it may have potential pharmacological and biological activities that warrant further research.

Research status

Further research is needed to explore its potential uses and effects.

Stability

The stability of the compound is not mentioned in the material, but it may be affected by factors such as temperature, pH, and exposure to light or air.

Synthesis

The synthesis of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)is not described in the material, but it likely involves the formation of the benzisoselenazol core and subsequent introduction of the fluorophenyl group.

Reactivity

The reactivity of the compound is not discussed in the material, but it may be influenced by the presence of the ketone group and the electron-withdrawing fluorine atom in the fluorophenyl group.

Safety and handling

Information on safety and handling is not provided in the material, but it is important to consider the potential hazards and precautions when working with this compound, especially if it has pharmacological or biological activities.

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

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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.

Benzisoselenazolone derivative, preparation method and application in anti-coronavirus drugs

The invention belongs to the technical field of anti-coronavirus drug discovery, discloses a benzisoselenazolone derivative, a preparation method and application of the benzisoselenazolone derivativein coronavirus resistance, and relates to synthesis of a

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.