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Chemical structure of GNE-049

GC32960

GNE-049

Also known as 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

GNE-049 is a highly potent and selective CBP inhibitor with an IC50 of 1·1 nM in TR-FRET assay· GNE-049 also inhibits BRET and BRD4(1) with IC50s of 12 nM and 4200 nM, respectively

ChemicalCAS1936421-41-8MW510.58FormulaC27H32F2N6O2
CAS number
1936421-41-8
Molecular weight
510.58
Formula
C27H32F2N6O2
Solubility
DMSO ： 150 mg/mL (293·78 mM)
InChIKey
LWXLECMNBTVASW-UHFFFAOYSA-N
Catalogue number
GC32960
Brand
GLPBIO
Computed properties PubChem CID 121373418 · XLogP 2.9 · TPSA 68.4 Ų · H-bond donors 0
XLogP
2.9
TPSA
68.4 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
37

SMILES CC(=O)N1CCC2=C(C1)C(=NN2C3CCOCC3)N4CCCC5=CC(=C(C=C54)C(F)F)C6=CN(N=C6)C

Computed descriptors from PubChem (CID 121373418), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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