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Chemical structure of BI-0474

GC73160

BI-0474

Also known as (4S)-2-amino-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile

BI-0474 is a potent KRASG12C inhibitor with an IC50 value of 7·0 nM for the GDP-KRAS::SOS1 protein-protein interaction

ChemicalCAS2750570-55-7MW587.74FormulaC30H37N9O2S
CAS number
2750570-55-7
Molecular weight
587.74
Formula
C30H37N9O2S
Solubility
DMSO ： 100 mg/mL (170·14 mM; Need ultrasonic)
InChIKey
CKAMBYUZKWQCKJ-ADSBAMQRSA-N
Catalogue number
GC73160
Brand
GLPBIO
Computed properties PubChem CID 165416585 · XLogP 4.1 · TPSA 160 Ų · H-bond donors 1
XLogP
4.1
TPSA
160 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
42

SMILES C[C@H]1CN(CCN1C2=CC(=CC(=N2)C3=NOC(=N3)[C@]4(CCCC5=C4C(=C(S5)N)C#N)C)N6CCN(CC6)C(=O)C=C)C

Computed descriptors from PubChem (CID 165416585), 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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