Oltipraz

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Oltipraz
Accession Number
DB12539
Type
Small Molecule
Groups
Investigational
Description

Oltipraz has been used in trials studying the treatment and prevention of Lung Cancer, Liver Fibrosis, Liver Cirrhosis, and Non-alcoholic Fatty Liver Disease.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
6N510JUL1Y
CAS number
64224-21-1
Weight
Average: 226.342
Monoisotopic: 225.969310272
Chemical Formula
C8H6N2S3
InChI Key
CKNAQFVBEHDJQV-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3
IUPAC Name
4-methyl-5-(pyrazin-2-yl)-3H-1,2-dithiole-3-thione
SMILES
CC1=C(SSC1=S)C1=CN=CC=N1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Oltipraz.
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Oltipraz.
AmodiaquineThe serum concentration of Oltipraz can be decreased when it is combined with Amodiaquine.
AncestimThe risk or severity of cytotoxicity can be increased when Ancestim is combined with Oltipraz.
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Oltipraz.
CymarinCymarin may decrease the cardiotoxic activities of Oltipraz.
DeslanosideDeslanoside may decrease the cardiotoxic activities of Oltipraz.
DigitoxinDigitoxin may decrease the cardiotoxic activities of Oltipraz.
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Oltipraz.
GitoformateGitoformate may decrease the cardiotoxic activities of Oltipraz.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0041967
PubChem Compound
47318
PubChem Substance
347828765
ChemSpider
43066
BindingDB
50418081
ChEBI
77319
ChEMBL
CHEMBL178459
Wikipedia
Oltipraz

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedPreventionLung Cancers1
2CompletedTreatmentFibrosis, Liver / Liver Cirrhosis1
2CompletedTreatmentNon-Alcoholic Fatty Liver Disease (NAFLD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.138 mg/mLALOGPS
logP1.75ALOGPS
logP1.79ChemAxon
logS-3.2ALOGPS
pKa (Strongest Basic)0.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity63.36 m3·mol-1ChemAxon
Polarizability22.18 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrazines
Direct Parent
Pyrazines
Alternative Parents
1,2-dithiole-3-thiones / Heteroaromatic compounds / Azacyclic compounds / Organosulfur compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
1,2-dithiole-3-thione / Pyrazine / Heteroaromatic compound / Dithiole / 1,2-dithiole / Azacycle / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organosulfur compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
pyrazines, 1,2-dithiole (CHEBI:77319)

Drug created on October 20, 2016 16:46 / Updated on October 01, 2018 15:16