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CP-724714

CAT: 1410-M17499-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M17499-07Size:100 mg
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Description
CP-724714 is an effective and selective HER2/ErbB2 inhibitor (IC50: 10 nM), >640-fold selectivity against EGFR, Abl, InsR, PDGFR, IRG-1R, Src, VEGFR2, c-Met etc.
CAS Number
383432-38-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
469.54
Molecular Formula
C27H27N5O3
Notes
Research use only, not for human use.
Receptor
HER2/ErbB2

Chemical Information

Cp-724714

CP-724714 is a 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide in which the double bond adopts a trans-configuration. It is a potent inhibitor of HER2/ErbB2 (IC50 = 10 nM) and exhibits anti-cancer activity. It has a role as an antineoplastic agent, a hepatotoxic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer.

CAS Number383432-38-0
PubChem CID9874913
IUPAC Name2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]acetamide
Molecular FormulaC27H27N5O3
Molecular Weight469.5
XLogP4.3
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity692
SMILES
CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C
InChI
InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
InChIKey
LLVZBTWPGQVVLW-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Cp-724714
CAS: 383432-38-0
CID: 9874913
Formula: C27H27N5O3
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass469.21138974
Monoisotopic Mass469.21138974
Topological Polar Surface Area98.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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