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BI-3406

CAT: 0957-S8916-02Size: 10 mm/ 1 mLDry Ice: NoHazardous: No
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CAT#:0957-S8916-02Size:10 mm/ 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
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 exhibits anti-tumor activities.
CAS Number
2230836-55-0
Target
Ras
Activity
Apoptosis
Molecular Formula
C23H25F3N4O3
Storage Conditions
3 years -20°C powder

Chemical Information

BI-3406
CAS Number2230836-55-0
PubChem CID138911318
IUPAC NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
Molecular FormulaC23H25F3N4O3
Molecular Weight462.5
XLogP4.3
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity643
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
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
InChIKey
XVFDNRYZXDHTHT-PXAZEXFGSA-N
Chemical Structure
2D Structure
2D structure of BI-3406
CAS: 2230836-55-0
CID: 138911318
Formula: C23H25F3N4O3
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass462.18787516
Monoisotopic Mass462.18787516
Topological Polar Surface Area91.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
207113BI-3406
TBI3956-25MGBI-3406, SOS1 inhibitor
A18507-5BI-3406 (SOS1-IN-2) 5mg
A18507-1BI-3406 (SOS1-IN-2) 1mg
A18507-50BI-3406 (SOS1-IN-2) 50mg
A18507-100BI-3406 (SOS1-IN-2) 100mg
A18507-500BI-3406 (SOS1-IN-2) 500mg
A18507-25BI-3406 (SOS1-IN-2) 25mg
A18507-10BI-3406 (SOS1-IN-2) 10mg
A18507-10mM-DBI-3406 (SOS1-IN-2) 10mM * 1mL in DMSO

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