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Ebselen

CAT: 0127-BUP13538-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13538-01Size:5 mg
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CAS Number
60940-34-3
Synonyms
SPI-1005, PZ-51, CCG-39161
Purity
=98%
Smiles
O=C1N([Se]C=2C1=CC=CC2)C3=CC=CC=C3

Chemical Information

Ebselen

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 Number60940-34-3
PubChem CID3194
IUPAC Name2-phenyl-1,2-benzoselenazol-3-one
Molecular FormulaC13H9NOSe
Molecular Weight274.19
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity275
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKey
DYEFUKCXAQOFHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebselen
CAS: 60940-34-3
CID: 3194
Formula: C13H9NOSe
MW: 274.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.19
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass274.98494
Monoisotopic Mass274.98494
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T0825-01Ebselen

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