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Chemical structure of Bozitinib

GC38894

Bozitinib

Also known as 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine

Bozitinib (PLB-1001) is a highly selective c-MET kinase inhibitor with blood-brain barrier permeability· Bozitinib (PLB-1001) is a ATP-competitive small-molecule inhibitor, binds to the conventional ATP-binding pocket of the tyrosine kinase superfamily

ChemicalCAS1440964-89-5MW424.38FormulaC20H15F3N8
CAS number
1440964-89-5
Molecular weight
424.38
Formula
C20H15F3N8
Solubility
DMSO： 50 mg/mL (117·82 mM)
InChIKey
QHXLXUIZUCJRKV-UHFFFAOYSA-N
Catalogue number
GC38894
Brand
GLPBIO
Computed properties PubChem CID 72202701 · XLogP 2.1 · TPSA 78.7 Ų · H-bond donors 0
XLogP
2.1
TPSA
78.7 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
31

SMILES CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F

Computed descriptors from PubChem (CID 72202701), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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