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EMI56

CAT: 0804-HY-131067-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-131067-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EMI56, the derivative of EMI1, displays greater potency toward mutant EGFR than EMI1. EMI56 inhibits EGFR triple mutants[1].
CAS Number
2414374-41-5
UNSPSC
12352005
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/emi56.html
Concentration
10mM
Purity
99.72
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CCN(CC)C1=C(C)C=C2C(OC(C(C3=NC(C=CC=C4)=C4O3)=C2)=O)=C1
Molecular Formula
C21H20N2O3
Molecular Weight
348.40
References & Citations
[1]Punit Saraon, et al. A Drug Discovery Platform to Identify Compounds That Inhibit EGFR Triple Mutants.Nat Chem Biol. 2020 May;16 (5) :577-586.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EGFR/ErbB1/HER1

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
Loading 3D structure...
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

Alternative Products

CatalogName
PWD37441-01EMI56

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