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

Identification

Generic Name
Triapine
DrugBank Accession Number
DB11940
Background

Triapine has been used in trials studying the treatment of Leukemia, Lung Cancer, Kidney Cancer, Prostate Cancer, and Pancreatic Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 195.24
Monoisotopic: 195.057866484
Chemical Formula
C7H9N5S
Synonyms
Not Available
External IDs
  • NSC-663249
  • OCX-0191
  • OCX-191
  • PAN-811

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
Not Available

Interactions

Drug Interactions
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Aminopyridines and derivatives
Direct Parent
Aminopyridines and derivatives
Alternative Parents
Thiosemicarbazones / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organosulfur compounds / Hydrocarbon derivatives
Substituents
Amine / Aminopyridine / Aromatic heteromonocyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organosulfur compound / Primary amine
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U4XIL4091C
CAS number
143621-35-6
InChI Key
XMYKNCNAZKMVQN-NYYWCZLTSA-N
InChI
InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
IUPAC Name
[(E)-[(3-aminopyridin-2-yl)methylidene]amino]thiourea
SMILES
NC(=S)N\N=C\C1=C(N)C=CC=N1

References

General References
Not Available
PubChem Compound
9571836
PubChem Substance
347828267
ChemSpider
7846300
BindingDB
50198892
ChEMBL
CHEMBL231616
ZINC
ZINC000006092213
PharmGKB
PA165858618
Wikipedia
3-Aminopyridine-2-carboxaldehyde_thiosemicarbazone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentAdenocarcinoma of the Cervix / Adenosquamous carcinoma of the cervix / Advanced Vaginal Adenocarcinoma / Advanced Vaginal Adenosquamous Carcinoma / Advanced Vaginal Squamous Cell Carcinoma / Cervical Squamous Cell Carcinoma / Stage IB2 Cervical Cancer AJCC v6 and v7 / Stage II Cervical Cancer AJCC v7 / Stage II Vaginal Cancer AJCC v6 and v7 / Stage IIA Cervical Cancer AJCC v7 / Stage IIB Cervical Cancer AJCC v6 and v7 / Stage III Vaginal Cancer AJCC v6 and v7 / Stage IIIB Cervical Cancer AJCC v6 and v7 / Stage IV Vaginal Cancer AJCC v6 and v7 / Stage IVA Cervical Cancer AJCC v6 and v7 / Stage IVA Vaginal Cancer AJCC v6 and v7 / Unresectable Vaginal Carcinoma / Vaginal Adenocarcinoma / Vaginal Adenosquamous Carcinoma / Vaginal Carcinoma / Vaginal Squamous Cell Carcinoma, Not Otherwise Specified1
2Active Not RecruitingTreatmentAdenocarcinoma of the Cervix / Adenosquamous carcinoma of the cervix / Cervical Cancer, Stage IIB / Cervical Cancer, Stage IVA / Cervical Squamous Cell Carcinoma / Stage IB2 Cervical Cancer / Stage II Vaginal Cancer / Stage IIA1 Cervical Cancer / Stage IIA2 Cervical Cancer / Stage III Vaginal Cancer / Stage IIIA Cervical Cancer / Stage IIIB Cervical Cancer / Stage IVA Vaginal Cancer / Vaginal Adenocarcinoma / Vaginal Adenosquamous Carcinoma / Vaginal Squamous Cell Carcinoma1
2CompletedTreatmentAccelerated Phase Chronic Myelogenous Leukemia (CML) / Atypical Chronic Myeloid Leukemia, BCR-ABL1 Negative / Chronic Eosinophilic Leukemia (CEL) / Chronic Myelogenous Leukemia, Blastic Phase / Chronic Myelomonocytic Leukemia (CMML) / Essential Thrombocythemia (ET) / Philadelphia Chromosome Negative Chronic Myelogenous Leukemia / Polycythemia Vera (PV) / Primary Myelofibrosis (PMF) / Relapsing Chronic Myelogenous Leukemia1
2CompletedTreatmentAcinar Cell Adenocarcinoma of the Pancreas / Duct Cell Adenocarcinoma of the Pancreas / Recurrent Pancreatic Cancer / Stage III Pancreatic Cancer / Stage IV Pancreatic Cancer1
2CompletedTreatmentAdenocarcinoma of the Oesophagus / Esophageal Cancer, Stage IV / Recurrent Esophageal Cancer1
2CompletedTreatmentCervical Cancer Stage IIa / Cervical Cancer, Stage IIB / Cervical Cancer, Stage III / Cervical Cancer, Stage IVA / Recurrent Cervical Cancer / Recurrent Vaginal Cancer / Stage IB Cervical Cancer / Stage II Vaginal Cancer / Stage III Vaginal Cancer / Stage IVA Vaginal Cancer / Stage IVB Cervical Cancer / Stage IVB Vaginal Cancer / Therapy-Related Toxicity1
2CompletedTreatmentLung Cancers2
2CompletedTreatmentMalignant Neoplasm of Pancreas2
2CompletedTreatmentNon-small Cell Lung Cancer (NSCLC), Recurrent1
2CompletedTreatmentPrimary Peritoneal Cavity Cancer / Recurrent Epithelial Ovarian Cancer / Stage 3 Ovarian Epithelial Cancer / Stage IV Ovarian Epithelial 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 Solubility0.323 mg/mLALOGPS
logP0.74ALOGPS
logP0.29ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)11.67ChemAxon
pKa (Strongest Basic)4.95ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area89.32 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity56.39 m3·mol-1ChemAxon
Polarizability19.8 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
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

Drug created at October 20, 2016 21:02 / Updated at June 12, 2020 16:53