BI-3406 [2230836-55-0]
Referentie T12979-5mg
Formaat : 5mg
Merk : TargetMol
BI-3406
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BI-3406 is an orally active, highly potent and selective between KRAS and Son of Sevenless 1 (SOS1) interaction inhibitor(IC50 : 6 nM),with anticancer activity.
Cas No. 2230836-55-0
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Purity:99.66%
Appearance:Solid
Color:White
Product Information
BI-3406 AI Summary
BI-3406 demonstrates significant bioactivity across multiple assays and models. It inhibits the SOS1/KRAS protein-protein interaction with high potency, showing IC50 values of 4.0 nM for the KRAS G12D mutant and 24.0 nM for the KRAS G13D mutant in various assays. The compound exhibits strong binding affinity to SOS1, with a dissociation constant (Kd) of 3.0 nM. Antiproliferative activity is noted against human DLD-1 and MIA PaCa-2 cells harboring KRAS mutations, with IC50 values as low as 30.0 nM. In vivo, BI-3406 shows notable antitumor potency, achieving up to 42.0% reduction in tumor activity at specific dosages in mouse xenograft models. The compound is highly orally bioavailable in rat and mouse models (100%) and has moderate hepatic clearance (16.0% of hepatic blood flow) in rats. Metabolic stability varies, with moderate stability in mouse and rat hepatocytes and lower stability in human hepatocytes. BI-3406 also demonstrates moderate to high inhibition of CYP enzymes and varying effects on cell growth rates across different cell lines and conditions, including effects on protein thermal stability..
Note: Summary generated by AI. Data source: ChEMBL 
Bioactivity
Chemical Properties
Storage & Solubility Information
| Description | BI-3406 is an orally active, highly potent and selective between KRAS and Son of Sevenless 1 (SOS1) interaction inhibitor(IC50 : 6 nM),with anticancer activity. |
| Targets & IC50 | KRAS-SOS1:6 nM |
| Molecular Weight | 462.46 |
| Formula | C23H25F3N4O3 |
| Cas No. | 2230836-55-0 |
| Smiles | COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]1CCOC1 |
| Relative Density. | 1.347 g/cm3 (Predicted) |
| Storage | Store under nitrogen, Pure form: -20°C for 3 years | In solvent: -80°C for 1 year Shipping with blue ice/Shipping at ambient temperature. | |||||||||||||||||||||||||||||||||||
| Solubility Information | DMSO: 122.5 mg/mL (264.89 mM), Sonication is recommended.  Ethanol: 100 mg/mL (216.23 mM), Sonication is recommended. | |||||||||||||||||||||||||||||||||||
| In Vivo Formulation | 10% DMSO+40% PEG300+5% Tween 80+45% Saline: 3.3 mg/mL (7.14 mM), Sonication is recommended. Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions. | |||||||||||||||||||||||||||||||||||
Solution Preparation Table | ||||||||||||||||||||||||||||||||||||
Ethanol/DMSO
Note : The dilution table applies only to solid products. For liquid products, please calculate the stock solution based on the stated concentration and/or density. | ||||||||||||||||||||||||||||||||||||