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Chemical structure of GSK3368715 (EPZ019997) 3HCl

GC25483

GSK3368715 (EPZ019997) 3HCl

Also known as N'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;trihydrochloride

GSK3368715 is a potent inhibitor of type I protein arginine methyltransferases (PRMT) that inhibits PRMT1, 3, 4, 6 and 8 with Kiapp vaules ranging from 1·5 to 81 nM

ChemicalCAS2227587-26-8MW475.92FormulaC20H41Cl3N4O2
CAS number
2227587-26-8
Molecular weight
475.92
Formula
C20H41Cl3N4O2
Solubility
DMSO： 81 mg/mL (170·20 mM);Water： 81 mg/mL (170·20 mM);Ethanol： 81 mg/mL (170·20 mM)
InChIKey
KBFPGRMCKLUHTA-UHFFFAOYSA-N
Catalogue number
GC25483
Brand
GLPBIO
Computed properties PubChem CID 146674221 · TPSA 62.4 Ų · H-bond donors 5 · H-bond acceptors 5
TPSA
62.4 Ų
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
29

SMILES CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC.Cl.Cl.Cl

Computed descriptors from PubChem (CID 146674221), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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