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Chemical structure of Sotorasib

GC62238

Sotorasib

Also known as 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

Sotorasib (AMG510) is a potent covalent inhibitor of KRASG12C (Glycine at position 12 of KRAS protein mutated to cysteine) that specifically and irreversibly inhibits KRASG12C by locking KRASG12C in an inactive GDP-bound state· Sotorasib is a chiral compound with potential anti-tumor activity

ChemicalCAS2296729-00-3MW560.59FormulaC30H30F2N6O3
CAS number
2296729-00-3
Molecular weight
560.59
Formula
C30H30F2N6O3
Solubility
DMSO ： 50 mg/mL (89·19 mM; Need ultrasonic)； Water ： 33·33 mg/mL (59·46 mM; ultrasonic and adjust pH to 11 with NaOH)
InChIKey
NXQKSXLFSAEQCZ-SFHVURJKSA-N
Catalogue number
GC62238
Brand
GLPBIO
Computed properties PubChem CID 137278711 · XLogP 4 · TPSA 102 Ų · H-bond donors 1
XLogP
4
TPSA
102 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
41

SMILES C[C@H]1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=C

Computed descriptors from PubChem (CID 137278711), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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