Ebselen

Chemical Information
Ebselen is a benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent, a ferroptosis inhibitor, an EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor, an antioxidant, an antibacterial agent, an anti-inflammatory drug, an antineoplastic agent, an antifungal agent, a radical scavenger, a genotoxin, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a hepatoprotective agent, a neuroprotective agent, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an apoptosis inducer, an EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor, an enzyme mimic, an EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor, an EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor, an EC 3.5.4.1 (cytosine deaminase) inhibitor and an EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor.
| CAS Number | 60940-34-3 |
| PubChem CID | 3194 |
| IUPAC Name | 2-phenyl-1,2-benzoselenazol-3-one |
| Molecular Formula | C13H9NOSe |
| Molecular Weight | 274.19 |
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275 |
| Property | Value |
|---|---|
| Molecular Weight | 274.19 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 274.98494 |
| Monoisotopic Mass | 274.98494 |
| Topological Polar Surface Area | 20.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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