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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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B414265-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $197.90 | |
B414265-10mg | 10mg | In stock | $315.90 | |
B414265-25mg | 25mg | In stock | $583.90 | |
B414265-50mg | 50mg | In stock | $1,051.90 |
Ras Inhibitors
Specifications & Purity | Moligand™, ≥98% |
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Biochemical and Physiological Mechanisms | BI-3406 (compound I-13) is a potent, selective and orally active inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with IC50 of 5 nM. BI-3406 reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling. BI-3406 exhi |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Grade | Moligand™ |
Mechanism of action | SOS Ras/Rac guanine nucleotide exchange factor 1 |
Product Description | Information BI-3406 BI-3406 is a potent, orally active and selective inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with IC50 of 6 nM. BI-3406 reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling with anticancer activities. Targets K-ras (Cell-free assay) 5 nM Cell Research(from reference) Cell lines:NCI-H358, A-549 cells, MIA PaCa-2 cells, PC-9 cells Concentrations:61.7 nM, 185 nM, 556 nM, 1670 nM, 5000 nM Incubation Time:24 h, 48 h, 72 h |
ALogP | 3.594 |
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HBD Count | 2 |
Rotatable Bond | 7 |
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IUPAC Name | N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine |
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INCHI | InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1 |
InChi Key | XVFDNRYZXDHTHT-PXAZEXFGSA-N |
Canonical SMILES | CC1=NC2=CC(=C(C=C2C(=N1)NC(C)C3=CC(=CC(=C3)N)C(F)(F)F)OC4CCOC4)OC |
Isomeric SMILES | CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)O[C@H]4CCOC4)OC |
PubChem CID | 138911318 |
Molecular Weight | 462.46 |
PubChem CID | 138911318 |
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CAS Registry No. | 2230836-55-0 |
ChEMBL Ligand | CHEMBL4519023 |
RCSB PDB Ligand | L7H, L7H |
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Solubility | Solubility (25°C) In vitro DMSO: 92 mg/mL (198.93 mM); Ethanol: 92 mg/mL (198.93 mM); Water: Insoluble; |
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DMSO(mg / mL) Max Solubility | 92 |
DMSO(mM) Max Solubility | 198.936124205337 |
Water(mg / mL) Max Solubility | <1 |
1. Hofmann MH, Gmachl M, Ramharter J, Savarese F, Gerlach D, Marszalek JR, Sanderson MP, Kessler D, Trapani F, Arnhof H et al.. (2021) BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.. Cancer Discov, 11 (1): (142-157). [PMID:32816843] |