2,4-Thiazolidinedione - CAS 2295-31-0

Catalog:	BB017837
Product Name:	2,4-Thiazolidinedione
CAS:	2295-31-0
Synonyms:	1,3-thiazolidine-2,4-dione

Technical Data

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Computed Properties

IUPAC Name:	1,3-thiazolidine-2,4-dione
Description:	Inhibitor of enzyme.
Molecular Weight:	117.13
Molecular Formula:	C3H3NO2S
Canonical SMILES:	C1C(=O)NC(=O)S1
InChI:	InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChI Key:	ZOBPZXTWZATXDG-UHFFFAOYSA-N
Boiling Point:	178-179 °C (19 mmHg)
Melting Point:	123-126 °C
Density:	1.516 g/cm³
Appearance:	White to off-white powder
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00005478
LogP:	0.29820

Publication Number	Title	Priority Date
US-2016168165-A1	Myc modulators and uses thereof	20141210
US-2016235729-A1	2,4-thiazolidinedione derivatives in the treatment of central nervous system disorders	20140402
US-9364465-B2	Thiazolidinediones of omega-3 polyunsaturated acids as new insulin sensitizers for treating type2 diabetes	20130328
US-2016031873-A1	Carboxamide Derivatives and Use Thereof	20130315
US-2014179743-A1	Non-atp dependent inhibitors of extracellular signal-regulated kinase (erk)	20121220

PMID	Publication Date	Title	Journal
33186540	20201217	Discovery of an Inhibitor for Bacterial 3-Mercaptopyruvate Sulfurtransferase that Synergistically Controls Bacterial Survival	Cell chemical biology
33137425	20201201	Protracted rosiglitazone treatment exacerbates inflammation in white adipose tissues of adipocyte-specific Nfe2l1 knockout mice	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
30958995	20190601	Inhibitors of aldehyde dehydrogenases of the 1A subfamily as putative anticancer agents: Kinetic characterization and effect on human cancer cells	Chemico-biological interactions
29743445	20180101	Increased susceptibility to troglitazone-induced mitochondrial permeability transition in type 2 diabetes mellitus model rat	The Journal of toxicological sciences
30418988	20180101	Prenatal treatment with rosiglitazone attenuates vascular remodeling and pulmonary monocyte influx in experimental congenital diaphragmatic hernia	PloS one

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GHS Hazard Statement:	H302 (70%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.98844951
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.98844951
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1