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Chemical structure of ASP2453

GC64341

ASP2453

Also known as 1-[7-[6-cyclopropyl-2-[1-(3-methoxypropyl)piperidin-4-yl]oxy-7-(5-methyl-1H-indazol-4-yl)-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one

ASP2453 is a potent, selective and covalent KRAS G12C inhibitor· ASP2453 inhibits the Son of Sevenless (SOS)-mediated interaction between KRAS G12C and Raf with an IC50 value of 40 nM

ChemicalCAS2241719-73-1MW747.85FormulaC40H48F3N7O4
CAS number
2241719-73-1
Molecular weight
747.85
Formula
C40H48F3N7O4
InChIKey
VEXDXXFHISGELS-UHFFFAOYSA-N
Catalogue number
GC64341
Brand
GLPBIO
Computed properties PubChem CID 139508269 · XLogP 7.2 · TPSA 109 Ų · H-bond donors 1
XLogP
7.2
TPSA
109 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
54

SMILES CC1=C(C2=C(C=C1)NN=C2)C3=C(C=C4C(=C3OCC(F)(F)F)N=C(N=C4N5CCC6(CC5)CN(C6)C(=O)C=C)OC7CCN(CC7)CCCOC)C8CC8

Computed descriptors from PubChem (CID 139508269), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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