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Chemical structure of CHIR 99021 trihydrochloride

GC15642

CHIR 99021 trihydrochloride

Also known as 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile;trihydrochloride

Laduviglusib (CHIR-99021) trihydrochloride is a potent and selective GSK-3α/β inhibitor with IC50s of 10 nM and 6·7 nM· CHIR 99021 trihydrochloride shows >500-fold selectivity for GSK-3 over CDC2, ERK2 and other protein kinases· CHIR 99021 trihydrochloride is also a potent Wnt/β-catenin signaling pathway activator· CHIR 99021 trihydrochloride enhances mouse and human embryonic stem cells self-renewal· CHIR 99021 trihydrochloride induces autophagy

ChemicalCAS1782235-14-6MW574.72FormulaC22H18Cl2N8·3HCl
CAS number
1782235-14-6
Molecular weight
574.72
Formula
C22H18Cl2N8·3HCl
Solubility
32 mg/mL in DMSO; 19 mg/mL in Water
InChIKey
DSFVSCNMMZRCIA-UHFFFAOYSA-N
Catalogue number
GC15642
Brand
GLPBIO
Computed properties PubChem CID 78243722 · TPSA 115 Ų · H-bond donors 6 · H-bond acceptors 7
TPSA
115 Ų
H-bond donors
6
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35

SMILES CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N.Cl.Cl.Cl

Computed descriptors from PubChem (CID 78243722), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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