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Mutant EGFR inhibitor

CAT: 0931-T2705-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T2705-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1421373-62-7
Target
EGFR
Related Pathways
JAK/STAT signaling, Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9975
Bioactivity
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.
Smiles
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Molecular Formula
C27H30ClN7O2
Molecular Weight
520.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
B1103-10Mutant EGFR inhibitor
A21144-10Mutant EGFR inhibitor 10mg
A21144-25Mutant EGFR inhibitor 25mg
A21144-5Mutant EGFR inhibitor 5mg
A21144-100Mutant EGFR inhibitor 100mg
A21144-50Mutant EGFR inhibitor 50mg
A21144-2Mutant EGFR inhibitor 2mg
A21144-1Mutant EGFR inhibitor 1mg
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