Tisopurine

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

Identification

Generic Name
Tisopurine
DrugBank Accession Number
DB13807
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 152.18
Monoisotopic: 152.015667319
Chemical Formula
C5H4N4S
Synonyms
  • Tisopurine

Pharmacology

Indication

Not Available

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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.
DrugInteraction
BendroflumethiazideThe therapeutic efficacy of Tisopurine can be decreased when used in combination with Bendroflumethiazide.
BenzthiazideThe therapeutic efficacy of Tisopurine can be decreased when used in combination with Benzthiazide.
ChlorothiazideThe therapeutic efficacy of Tisopurine can be decreased when used in combination with Chlorothiazide.
CyclopenthiazideThe therapeutic efficacy of Tisopurine can be decreased when used in combination with Cyclopenthiazide.
CyclothiazideThe therapeutic efficacy of Tisopurine can be decreased when used in combination with Cyclothiazide.
Food Interactions
Not Available

Categories

ATC Codes
M04AA02 — Tisopurine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Sub Class
Pyrazolo[3,4-d]pyrimidines
Direct Parent
Pyrazolo[3,4-d]pyrimidines
Alternative Parents
Pyrimidinethiones / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Organosulfur compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Organosulfur compound / Pyrazole
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
79F9I2R16M
CAS number
5334-23-6
InChI Key
PYAOPMWCFSVFOT-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
IUPAC Name
1H,4H,7H-pyrazolo[3,4-d]pyrimidine-4-thione
SMILES
S=C1N=CNC2=C1C=NN2

References

General References
Not Available
ChemSpider
580886
RxNav
38136
ChEBI
134776
ChEMBL
CHEMBL119423
ZINC
ZINC000004353300
Wikipedia
Tisopurine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.677 mg/mLALOGPS
logP0ALOGPS
logP-0.12Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)8.47Chemaxon
pKa (Strongest Basic)-0.17Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area53.07 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity43.4 m3·mol-1Chemaxon
Polarizability13.91 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-MSsplash10-0udi-5900000000-c2efc190bbb9596cbc01
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0900000000-0db7f1721c3ff0cf06cd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1900000000-e12c79a0df5ad5de597c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0900000000-9c2ae9f6d55cd00e3cd1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-5900000000-475d394fed2a37d36bfd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pb9-9500000000-377d4f984a0685586ab8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-7900000000-0fa0ac1596ea05af31b0
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]-124.4272657
predicted
DarkChem Lite v0.1.0
[M-H]-125.61151
predicted
DeepCCS 1.0 (2019)
[M+H]+125.5866657
predicted
DarkChem Lite v0.1.0
[M+H]+127.66615
predicted
DeepCCS 1.0 (2019)
[M+Na]+125.2241657
predicted
DarkChem Lite v0.1.0
[M+Na]+135.76897
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54