2,4-thiazolidinedione

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

Identification

Name
2,4-thiazolidinedione
Accession Number
DB11898
Type
Small Molecule
Groups
Investigational
Description

Thiazolidinedione has been investigated for the treatment of Type 2 Diabetes, Diabetes Mellitus, and DIABETES MELLITUS, TYPE 2.

Structure
Thumb
Synonyms
  • Thiazolidinedione
External IDs
NSC-6745
Categories
UNII
AA68LXK93C
CAS number
2295-31-0
Weight
Average: 117.12
Monoisotopic: 116.988449515
Chemical Formula
C3H3NO2S
InChI Key
ZOBPZXTWZATXDG-UHFFFAOYSA-N
InChI
InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
IUPAC Name
1,3-thiazolidine-2,4-dione
SMILES
O=C1CSC(=O)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
Acetylsalicylic acidAcetylsalicylic acid may increase the hypoglycemic activities of 2,4-thiazolidinedione.
AmcinonideThe therapeutic efficacy of 2,4-thiazolidinedione can be decreased when used in combination with Amcinonide.
Aminosalicylic AcidAminosalicylic Acid may increase the hypoglycemic activities of 2,4-thiazolidinedione.
AmitriptylineAmitriptyline may decrease the hypoglycemic activities of 2,4-thiazolidinedione.
AripiprazoleThe therapeutic efficacy of 2,4-thiazolidinedione can be decreased when used in combination with Aripiprazole.
Arsenic trioxideThe therapeutic efficacy of 2,4-thiazolidinedione can be decreased when used in combination with Arsenic trioxide.
ArticaineThe therapeutic efficacy of 2,4-thiazolidinedione can be decreased when used in combination with Articaine.
AsenapineThe therapeutic efficacy of 2,4-thiazolidinedione can be decreased when used in combination with Asenapine.
AtazanavirThe therapeutic efficacy of 2,4-thiazolidinedione can be decreased when used in combination with Atazanavir.
BendroflumethiazideThe therapeutic efficacy of 2,4-thiazolidinedione can be decreased when used in combination with Bendroflumethiazide.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
5437
PubChem Substance
347828231
ChemSpider
5242
ChEBI
50992
ChEMBL
CHEMBL85398

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableBMI >30 kg/m2 / Insulin Resistance / Metabolic Syndromes1
1CompletedTreatmentDiabetes, Diabetes Mellitus Type 11
3CompletedTreatmentDiabetes Mellitus (DM)2
3CompletedTreatmentType 2 Diabetes Mellitus4
Not AvailableCompletedNot AvailableType 2 Diabetes Mellitus1
Not AvailableRecruitingBasic ScienceUric Acid Kidney Stone Disease1

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 Solubility77.9 mg/mLALOGPS
logP-0.88ALOGPS
logP-0.28ChemAxon
logS-0.18ALOGPS
pKa (Strongest Acidic)7.36ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area46.17 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity25.54 m3·mol-1ChemAxon
Polarizability9.66 Å3ChemAxon
Number of Rings1ChemAxon
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-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-0avl-9100000000-a54a2ac7c249a408e0b2
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9200000000-f5f3bbe3b05d2cd8d44b
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 thiazolidinediones. These are heterocyclic compounds containing a thiazolidine ring which bears two ketone groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azolidines
Sub Class
Thiazolidines
Direct Parent
Thiazolidinediones
Alternative Parents
Dicarboximides / Thiocarbamic acid derivatives / Organic carbonic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Thiazolidinedione / Dicarboximide / Thiocarbamic acid derivative / Carbonic acid derivative / Azacycle / Carboxylic acid derivative / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
thiazolidenedione (CHEBI:50992)

Drug created on October 20, 2016 14:58 / Updated on August 02, 2018 06:31