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Chemical structure of MPS1/TTK Inhibitor

GC40048

MPS1/TTK Inhibitor

Also known as N-(2,6-diethylphenyl)-8-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

MPS1/TTK inhibitor is an inhibitor of monopolar spindle 1 (MPS1/TTK; IC50 = 5·8 nM), a kinase involved in mitotic spindle checkpoint signaling that is overexpressed in certain cancerous tumors

ChemicalCAS1202055-39-7MW580.7FormulaC33H40N8O2
CAS number
1202055-39-7
Molecular weight
580.7
Formula
C33H40N8O2
Solubility
Water： Slightly Soluble
InChIKey
DHKBTAOKHPQHKT-UHFFFAOYSA-N
Catalogue number
GC40048
Brand
GLPBIO
Computed properties PubChem CID 44537856 · XLogP 5 · TPSA 100 Ų · H-bond donors 2
XLogP
5
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
43

SMILES CCC1=C(C(=CC=C1)CC)NC(=O)C2=NN(C3=C2CCC4=CN=C(N=C43)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC)C

Computed descriptors from PubChem (CID 44537856), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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