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
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Oltipraz.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Oltipraz.Experimental
AmodiaquineThe serum concentration of Oltipraz can be decreased when it is combined with Amodiaquine.Approved, Investigational
BevacizumabBevacizumab may increase the cardiotoxic activities of Oltipraz.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Oltipraz.Approved
ChloroquineThe serum concentration of Oltipraz can be decreased when it is combined with Chloroquine.Approved, Vet Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Oltipraz.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Oltipraz.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Oltipraz.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Oltipraz.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Oltipraz.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Oltipraz.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Oltipraz.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Oltipraz.Experimental
HydroxychloroquineThe serum concentration of Oltipraz can be decreased when it is combined with Hydroxychloroquine.Approved
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Oltipraz.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Oltipraz.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Oltipraz.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Oltipraz.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Oltipraz.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Oltipraz.Experimental
PrimaquineThe serum concentration of Oltipraz can be decreased when it is combined with Primaquine.Approved
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Oltipraz.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Oltipraz.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB41967
PubChem Compound
47318
PubChem Substance
347828765
ChemSpider
43066
BindingDB
50418081
ChEBI
77319
ChEMBL
CHEMBL178459

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 November 09, 2017 05:09