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ChemicalBook--->CAS DataBase List--->2230836-55-0

2230836-55-0

2230836-55-0 Structure

2230836-55-0 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

BI-3406(2230836-55-0)1HNMR
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