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Chemical structure of EZH2-IN-2

GC39595

EZH2-IN-2

Also known as 3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide

EZH2-IN-2 is a EZH2 inhibitor extracted from patent WO2018133795A1, Compound Example 69, with an IC50 of 64 nM· EZH2-IN-2 can be used for the research of cancer or precancerous condition related to EZH2 activity

ChemicalCAS2238821-31-1MW610.79FormulaC36H46N6O3
CAS number
2238821-31-1
Molecular weight
610.79
Formula
C36H46N6O3
Solubility
Soluble in DMSO
InChIKey
JQCQAOKPLACZCY-UHFFFAOYSA-N
Catalogue number
GC39595
Brand
GLPBIO
Computed properties PubChem CID 135249120 · XLogP 4.3 · TPSA 97.9 Ų · H-bond donors 2
XLogP
4.3
TPSA
97.9 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
45

SMILES CCN(C1=CC(=CC(=C1C)C(=O)NCC2=C(C=C(NC2=O)C)C)C3=C(N=C(C=C3)N4CCN(CC4)CC5CC5)C)C(=O)C6CC6

Computed descriptors from PubChem (CID 135249120), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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