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Chemical structure of SOS1-IN-2

GC37667

SOS1-IN-2

Also known as N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine

SOS1-IN-2 (compound I-6) is an orally active, highly potent and selective inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with an IC50 of 6 nM· SOS1-IN-2 potently reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling· SOS1-IN-2 has anticancer activity

ChemicalCAS2230836-55-0MW462.46FormulaC23H25F3N4O3
CAS number
2230836-55-0
Molecular weight
462.46
Formula
C23H25F3N4O3
Solubility
Ethanol： 100 mg/mL (216·23 mM); DMSO： 100 mg/mL (216·23 mM)
InChIKey
XVFDNRYZXDHTHT-PXAZEXFGSA-N
Catalogue number
GC37667
Brand
GLPBIO
Computed properties PubChem CID 138911318 · XLogP 4.3 · TPSA 91.5 Ų · H-bond donors 2
XLogP
4.3
TPSA
91.5 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
33

SMILES CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)O[C@H]4CCOC4)OC

Computed descriptors from PubChem (CID 138911318), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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