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Chemical structure of BBO-8520

GC73788

BBO-8520

Also known as 2-amino-4-[4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile

BBO-8520 is a direct small molecule covalent inhibitor targeting KRAS G12C with high oral availability

ChemicalCAS2893809-51-1MW729.74FormulaC35H33F6N7O2S
CAS number
2893809-51-1
Molecular weight
729.74
Formula
C35H33F6N7O2S
Solubility
DMSO ： ≥ 50 mg/mL (68·52 mM)
InChIKey
RIVFEDYNLHJKEZ-VHJOERAISA-N
Catalogue number
GC73788
Brand
GLPBIO
Computed properties PubChem CID 166488980 · XLogP 7.6 · TPSA 140 Ų · H-bond donors 1
XLogP
7.6
TPSA
140 Ų
H-bond donors
1
H-bond acceptors
15
Rotatable bonds
6
Heavy atoms
51

SMILES C[C@@H]1CN([C@H](CN1C(=O)C=C)C)C2=NC(=NC3=C(C(=C(C=C32)C(F)(F)F)C4=C5C(=C(SC5=C(C=C4)F)N)C#N)F)OC[C@@]67CCCN6C[C@@H](C7)F

Computed descriptors from PubChem (CID 166488980), 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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Pricing
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Documents
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