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Chemical structure of UNC0321

GC37856

UNC0321

Also known as 7-[2-[2-(dimethylamino)ethoxy]ethoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

UNC0321 is a potent and selective histone methyltransferase G9a inhibitor with a Ki of 63 pM and with assay-dependent IC50 values of 6-9 nM· UNC0321 also inhibits GLP with assay-dependent IC50 values of 15-23 nM· UNC0321 is inactive against SET7/9, SET8/PreSET7, PRMT3 and JMJD2E

ChemicalCAS1238673-32-9MW515.69FormulaC27H45N7O3
CAS number
1238673-32-9
Molecular weight
515.69
Formula
C27H45N7O3
Solubility
DMSO： ≥ 31 mg/mL (60·11 mM)
InChIKey
AULLUGALUBVBDD-UHFFFAOYSA-N
Catalogue number
GC37856
Brand
GLPBIO
Computed properties PubChem CID 46901937 · XLogP 2.9 · TPSA 78.5 Ų · H-bond donors 1
XLogP
2.9
TPSA
78.5 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
37

SMILES CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCOCCN(C)C

Computed descriptors from PubChem (CID 46901937), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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