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Chemical structure of HG-9-91-01

GC11719

HG-9-91-01

Also known as 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea

HG-9-91-01 is a salt-inducible kinases (SIK) inhibitor, inhibited SIK1, SIK2, SIK3 with IC50 values of 0·92nM, 6·5nM and 19·4nM, respectively

ChemicalCAS1456858-58-4MW567.68FormulaC32H37N7O3
CAS number
1456858-58-4
Molecular weight
567.68
Formula
C32H37N7O3
Solubility
≥ 56·8mg/mL in DMSO
InChIKey
UYUHRKLITDJEHB-UHFFFAOYSA-N
Catalogue number
GC11719
Brand
GLPBIO
Computed properties PubChem CID 78357808 · XLogP 5.3 · TPSA 95.1 Ų · H-bond donors 2
XLogP
5.3
TPSA
95.1 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
42

SMILES CC1=C(C(=CC=C1)C)NC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC=NC(=C3)NC4=CC=C(C=C4)N5CCN(CC5)C

Computed descriptors from PubChem (CID 78357808), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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