| Identification | Back Directory | [Name]
Benzo[b]thiophene-3-carbonitrile, 2-amino-4-[3-[6-[(2S)-2,4-dimethyl-1-piperazinyl]-4-[4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-4-methyl-, (4S)- | [CAS]
2750570-55-7 | [Synonyms]
BI-0474
Benzo[b]thiophene-3-carbonitrile, 2-amino-4-[3-[6-[(2S)-2,4-dimethyl-1-piperazinyl]-4-[4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-4-methyl-, (4S)- | [Molecular Formula]
C30H37N9O2S | [MOL File]
2750570-55-7.mol | [Molecular Weight]
587.74 |
| Chemical Properties | Back Directory | [Boiling point ]
879.4±75.0 °C(Predicted) | [density ]
1.38±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
7.13±0.70(Predicted) | [color ]
White to off-white | [InChIKey]
CKAMBYUZKWQCKJ-ADSBAMQRSA-N | [SMILES]
C12CCC[C@@](C3ON=C(C4=NC(N5CCN(C)C[C@@H]5C)=CC(N5CCN(C(=O)C=C)CC5)=C4)N=3)(C)C=1C(C#N)=C(N)S2 |
| Hazard Information | Back Directory | [Description]
BI-0474 is a potent KRASG12C inhibitor with an IC50 value of 7.0 nM. | [Uses]
BI-0474 is a potent KRASG12C inhibitor with an IC50 value of 7.0 nM for the GDP-KRAS::SOS1 protein-protein interaction. It exhibits good anti-proliferative activity against NCI-H358 cells carrying the G12C mutation. BI-0474 also shows good anti-tumour activity in non-small cell lung cancer xenograft models.
| [in vitro]
BI-0474 (1-10,000 nM; 3 days) shows potent antiproliferative activity of 26 nM on NCI-H358 cells carrying a G12C mutation.
| [in vivo]
BI-0474 (40 mg/kg; i.p.; single daily for 3 days) shows anti-tumor efficacy and pharmacodynamic biomarker modulation in an NCI-H358 cell line-derived non-small cell lung cancer xenograft model
| [IC 50]
KRAS-SOS1: 7.0 nM (IC50) |
|
| Company Name: |
Bide Pharmatech Ltd.
|
| Telephone: |
400-1647117 13681763483 |
| Website: |
https://www.bidepharm.com/ |
| Company Name: |
InvivoChem
|
| Telephone: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
|