NAV

Oltipraz

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

Identification

Generic Name
Oltipraz
DrugBank Accession Number
DB12539
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 226.342
Monoisotopic: 225.969310272
Chemical Formula
C8H6N2S3
Synonyms
  • Oltipraz
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Oltipraz is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Oltipraz is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Oltipraz is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Oltipraz is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Oltipraz is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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 / 1,2-dithiole-3-thione / Aromatic heteromonocyclic compound / Azacycle / Dithiole / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
pyrazines, 1,2-dithiole (CHEBI:77319)
Affected organisms
Not Available

Chemical Identifiers

UNII
6N510JUL1Y
CAS number
64224-21-1
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

References

General References
Not Available
Human Metabolome Database
HMDB0041967
PubChem Compound
47318
PubChem Substance
347828765
ChemSpider
43066
BindingDB
50418081
ChEBI
77319
ChEMBL
CHEMBL178459
ZINC
ZINC000000001852
Wikipedia
Oltipraz

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentFatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD1
3CompletedTreatmentNon-alcholic Fatty Liver Disease1
2CompletedTreatmentCirrhosis of the Liver / Fibrosis, Liver1
2CompletedTreatmentFatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD1
1CompletedPreventionLung Cancer1

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-MSsplash10-0fi1-4920000000-60677f0b7b091bb6734c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-13a8a19fdc36237a9357
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-078a458bd48d3404f124
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-5edc4ea3d9d12249ef63
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0390000000-92ccc94dd26a9d1352fa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02t9-0900000000-fc98cd14a83b3197a521
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-3910000000-1d062cc69d2d0a45dbad
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-141.6765902
predicted
DarkChem Lite v0.1.0
[M-H]-142.0437902
predicted
DarkChem Lite v0.1.0
[M-H]-132.28659
predicted
DeepCCS 1.0 (2019)
[M+H]+142.7659902
predicted
DarkChem Lite v0.1.0
[M+H]+142.7655902
predicted
DarkChem Lite v0.1.0
[M+H]+136.0421
predicted
DeepCCS 1.0 (2019)
[M+Na]+142.2210902
predicted
DarkChem Lite v0.1.0
[M+Na]+145.42079
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:46 / Updated at February 21, 2021 18:53