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Chemical structure of Tesevatinib (XL-647)

GC31752

Tesevatinib (XL-647)

Also known as 7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine

Tesevatinib (XL-647) (XL-647; EXEL-7647; KD-019) is an orally available, multi-target tyrosine kinase inhibitor; inhibits EGFR, ErbB2, KDR, Flt4 and EphB4 kinase with IC50s of 0·3, 16, 1·5, 8·7, and 1·4 nM

ChemicalCAS781613-23-8MW491.39FormulaC24H25Cl2FN4O2
CAS number
781613-23-8
Molecular weight
491.39
Formula
C24H25Cl2FN4O2
Solubility
DMSO ： ≥ 30 mg/mL (61·05 mM)
InChIKey
HVXKQKFEHMGHSL-GOOCMWNKSA-N
Catalogue number
GC31752
Brand
GLPBIO
Computed properties PubChem CID 10458325 · XLogP 5.8 · TPSA 59.5 Ų · H-bond donors 1
XLogP
5.8
TPSA
59.5 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

SMILES CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC

Computed descriptors from PubChem (CID 10458325), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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