| Identification | Back Directory | [Name]
BI-3406 | [CAS]
2230836-55-0 | [Synonyms]
BI-3406
SOS1-IN-2
N-[(1R)-1-[3-Amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
N-((R)-1-(3-Amino-5-(trifluoromethyl)phenyl)ethyl)-7-methoxy-2-methyl-6-(((S)-tetrahydrofuran-3-yl)oxy)quinazolin-4-amine
4-Quinazolinamine, N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[[(3S)-tetrahydro-3-furanyl]oxy]- | [Molecular Formula]
C23H25F3N4O3 | [MDL Number]
MFCD32197204 | [MOL File]
2230836-55-0.mol | [Molecular Weight]
462.46 |
| Chemical Properties | Back Directory | [Boiling point ]
534.5±50.0 °C(Predicted) | [density ]
1.347±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:100.0(Max Conc. mg/mL);216.23(Max Conc. mM)
Ethanol:100.0(Max Conc. mg/mL);216.23(Max Conc. mM) | [form ]
A solid | [pka]
6.58±0.70(Predicted) | [color ]
White to off-white | [InChIKey]
XVFDNRYZXDHTHT-PXAZEXFGSA-N | [SMILES]
N1=C2C(C=C(O[C@H]3CCOC3)C(OC)=C2)=C(N[C@@H](C2=CC(C(F)(F)F)=CC(N)=C2)C)N=C1C |
| Hazard Information | Back Directory | [Uses]
BI-3406 (compound I-6) is an orally active, highly potent and selective inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with an IC50 of 6 nM. BI-3406 potently reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling. BI-3406 has anticancer activity[1][2]. | [IC 50]
KRAS-SOS1: 6 nM (IC50) | [storage]
Store at -20°C | [References]
[1] Michael Gmachl, et al. Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors. WO2018115380A1.
[2] Marco H Hofmann, et al. Abstract PL06-01: Discovery of BI-3406: A potent and selective SOS1::KRAS inhibitor opens a new approach for treating KRAS-driven tumors. December 2019. |
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