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Chemical structure of HTH-01-091

GC69242

HTH-01-091

Also known as 9-(3,5-dichloro-4-hydroxyphenyl)-1-[4-[(dimethylamino)methyl]cyclohexyl]-3,4-dihydropyrimido[5,4-c]quinolin-2-one

HTH-01-091 is a potent and selective inhibitor of maternal embryonic leucine zipper kinase (MELK), with an IC50 of 10·5 nM· HTH-01-091 also inhibits PIM1/2/3, RIPK2, DYRK3, smMLCK and CLK2· HTH-01-091 can be used for breast cancer research

ChemicalCAS2000209-42-5MW499.43FormulaC26H28Cl2N4O2
CAS number
2000209-42-5
Molecular weight
499.43
Formula
C26H28Cl2N4O2
InChIKey
FUVRHGKKWNNBJX-UHFFFAOYSA-N
Catalogue number
GC69242
Brand
GLPBIO
Computed properties PubChem CID 131801426 · XLogP 5 · TPSA 68.7 Ų · H-bond donors 2
XLogP
5
TPSA
68.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34

SMILES CN(C)CC1CCC(CC1)N2C3=C4C=C(C=CC4=NC=C3CNC2=O)C5=CC(=C(C(=C5)Cl)O)Cl

Computed descriptors from PubChem (CID 131801426), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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