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Chemical structure of Mps1-IN-7

GC75111

Mps1-IN-7

Also known as 8-N-[(2S)-3,3-dimethylbutan-2-yl]-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine

Mps1-IN-7 is a potent MPS1 inhibitor (IC50 of 0·020 μM) over JNK1 and JNK2 (JNK1 IC50= 0·11 μM, JNK2 IC50=0·22 μM)

ChemicalCAS1578244-34-4MW431.53FormulaC24H29N7O
CAS number
1578244-34-4
Molecular weight
431.53
Formula
C24H29N7O
Solubility
DMSO： 25 mg/mL (57·93 mM; Need ultrasonic)
InChIKey
XTJZKALDRPVFSN-HNNXBMFYSA-N
Catalogue number
GC75111
Brand
GLPBIO
Computed properties PubChem CID 73386882 · XLogP 4.7 · TPSA 89.8 Ų · H-bond donors 2
XLogP
4.7
TPSA
89.8 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

SMILES C[C@@H](C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OC

Computed descriptors from PubChem (CID 73386882), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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