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CHEBI:747739 - CHIR99021 HCl

Default Structure
ChEBI IDCHEBI:747739
ChEBI NameCHIR99021 HCl
Stars
DefinitionA highly potent, selective small-molecule inhibitor of glycogen synthase kinase-3 (GSK-3α/β) with IC_50 values of 10 nM and 6.7 nM, respectively. It serves as a robust Wnt/beta-catenin signaling pathway activator, extensively used to maintain stem cell pluripotency and enhance self-renewal.
Last Modified28 May 2026
Submitterjychien
DownloadsMolfile
FormulaC22H18Cl2N8.HCl
Net Charge0
Average Mass501.809
Monoisotopic Mass500.07983
SMILES[H]Cl.[H]c1nc(N([H])C([H])([H])C([H])([H])N([H])c2nc([H])c(-c3nc([H])c(C([H])([H])[H])n3[H])c(-c3c([H])c([H])c(Cl)c([H])c3Cl)n2)c([H])c([H])c1C#N
InChIInChI=1S/C22H18Cl2N8.ClH/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19;/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32);1H
InChIKeySCQDMKUZHIGAIB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
CHIR99021 HCl (CHEBI:747739) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile;hydrochloride
Synonyms  Source
CHIR-99021 HClPubChem Compound
CHIR 99021 hydrochloridePubChem Compound
CHIR-99021 hydrochloridePubChem Compound
CHIR-99021 (monohydrochloride)PubChem Compound
Laduviglusib hydrochloridePubChem Compound
Registry NumbersSources
CAS:1797989-42-4CAS