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EMI56

CAT: 0013-GTR19191749-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191749-01Size:2 mg
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Description
EMI56 is an optimized derivative of EMI1 with superior inhibitory activity against mutant EGFR, including resistant triple mutants. It is a valuable research tool for in vitro and in vivo studies targeting oncogenic EGFR signaling in non-small cell lung cancer.
CAS Number
2414374-41-5
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
CCN (CC) c1cc2oc (=O) c (cc2cc1C) -c1nc2ccccc2o1
Molecular Formula
C21H20N2O3
Molecular Weight
348.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(1,3-Benzoxazol-2-yl)-7-(diethylamino)-6-methylchromen-2-one
CAS Number2414374-41-5
PubChem CID145864056
IUPAC Name3-(1,3-benzoxazol-2-yl)-7-(diethylamino)-6-methylchromen-2-one
Molecular FormulaC21H20N2O3
Molecular Weight348.4
XLogP4.6
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity559
SMILES
CCN(CC)C1=CC2=C(C=C1C)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C21H20N2O3/c1-4-23(5-2)17-12-19-14(10-13(17)3)11-15(21(24)26-19)20-22-16-8-6-7-9-18(16)25-20/h6-12H,4-5H2,1-3H3
InChIKey
OYQNORRYAWXDHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1,3-Benzoxazol-2-yl)-7-(diethylamino)-6-methylchromen-2-one
CAS: 2414374-41-5
CID: 145864056
Formula: C21H20N2O3
MW: 348.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass348.14739250
Monoisotopic Mass348.14739250
Topological Polar Surface Area55.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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