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Mutant EGFR inhibitor

CAT: 1410-M17288-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M17288-01Size:2 mg
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Description
Mutant EGFR inhibitor is a selective and potent Mutated EGFR inhibitor, inhibits L858R activating mutant, the Exonl9 deletion activating mutant and the T790M resistance mutant.
CAS Number
1421373-62-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
520.03
Molecular Formula
C27H30ClN7O2
Notes
Research use only, not for human use.
Receptor
EGFR (mutant)

Chemical Information

Mutant EGFR inhibitor
CAS Number1421373-62-7
PubChem CID78357783
IUPAC NameN-[5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
Molecular FormulaC27H30ClN7O2
Molecular Weight520.0
XLogP4.4
Topological Polar Surface Area98.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity758
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)Cl)OC
InChI
InChI=1S/C27H30ClN7O2/c1-6-25(36)31-21-13-22(24(37-5)14-23(21)35(4)12-11-34(2)3)32-27-30-16-19(28)26(33-27)18-15-29-20-10-8-7-9-17(18)20/h6-10,13-16,29H,1,11-12H2,2-5H3,(H,31,36)(H,30,32,33)
InChIKey
SUPQPCQJBYPRPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mutant EGFR inhibitor
CAS: 1421373-62-7
CID: 78357783
Formula: C27H30ClN7O2
MW: 520.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight520.0
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass519.2149509
Monoisotopic Mass519.2149509
Topological Polar Surface Area98.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity758
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