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iCRT-14 - ≥98% (HPLC), high purity , CAS No.677331-12-3
Basic Description
Synonyms
5-((2,5-Dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl)methylene)-3-phenylthiazolidine-2,4-dione | HY-16665 | (5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-phenyl-1,3-thiazolidine-2,4-dione | iCRT 14 | AKOS005266725 | AS-55963 | STK155594
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
iCRT 14 is a potent inhibitor of β-catenin-responsive transcription (CRT) (IC50 = 40.3 nM in assays of Wnt pathway activity). iCRT 14 may also directly influence the interaction between β-catenin and TCF4.
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
iCRT-14 is a novel potent inhibitor of β-catenin-responsive transcription (CRT) (IC50 = 40.3 nM in assays of Wnt pathway activity).
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Thiazolidines
Intermediate Tree Nodes
Thiazolidinones
Direct Parent
Thiazolidinediones
Alternative Parents
Substituted pyrroles Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiazolidinedione - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Dicarboximide - Pyrrole - Heteroaromatic compound - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
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.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
INCHI
InChI=1S/C21H17N3O2S/c1-14-11-16(15(2)23(14)18-9-6-10-22-13-18)12-19-20(25)24(21(26)27-19)17-7-4-3-5-8-17/h3-13H,1-2H3/b19-12-
InChIKey
NCSHZXNGQYSKLR-UNOMPAQXSA-N
Smiles
CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)N(C(=O)S3)C4=CC=CC=C4
Isomeric SMILES
CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=O)N(C(=O)S3)C4=CC=CC=C4
WGK Germany
3
Molecular Weight
375.44
Reaxy-Rn
24079624
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24079624&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO (75 mM), and ethanol (5 mM).
Molecular Weight
375.400 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
375.104 Da
Monoisotopic Mass
375.104 Da
Topological Polar Surface Area
80.500 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
617.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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F1714001