Molecular Identity
Oltipraz
4-methyl-5-pyrazin-2-yldithiole-3-thione
PubChem CID: 47318
Oltipraz is a 1,2-dithiole that is 3H-1,2-dithiole-3-thione substituted at positions 4 and 5 by methyl and pyrazin-2-yl groups respectively. It has a role as an antioxidant, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an antineoplastic agent, a schistosomicide drug, a protective agent, a neurotoxin, an angiogenesis modulating agent and an antimutagen. It is a member of pyrazines and a 1,2-dithiole.
2D Structure
Properties
C8H6N2S3
Molecular Formula
226.30
Molecular Weight
g/mol
225.9693
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
262
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Oltipraz64224-21-14-methyl-5-(pyrazin-2-yl)-3H-1,2-dithiole-3-thioneOltiprazumRP 359724-Methyl-5-pyrazinyl-3H-1,2-dithiole-3-thioneRP-35,9723H-1,2-DITHIOLE-3-THIONE, 4-METHYL-5-PYRAZINYL-NSC-3479016N510JUL1Y5-(2-Pyrazinyl)-4-methyl-1,2-dithiole-3-thioneDTXSID70210794-Methyl-5-(pyrazinyl)-3H-1,2-dithiole-3-thioneNSC347901CHEBI:77319
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Oltipraz
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