This is an old revision of this page, as edited by Beetstra (talk | contribs) at 19:52, 10 November 2011 (Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.
Revision as of 19:52, 10 November 2011 by Beetstra (talk | contribs) (Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff){{Chembox | verifiedrevid = 455350271 | ImageFile = Canertinib.svg | ImageSize = 200px | IUPACName = N-{4--7-quinazolin-6-yl}prop-2-enamide | OtherNames = CI-1033; PD-183805 | Section1 = ! colspan=2 style="background: #f8eaba; text-align: center;" |Identifiers
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3D model (JSmol)|
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| ChEBI
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|- | ChEMBL
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|- | ChemSpider
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PubChem CID|
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| UNII
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CompTox Dashboard (EPA)|
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InChI- InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)Key: OMZCMEYTWSXEPZ-UHFFFAOYSA-N
- InChI=1/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)Key: OMZCMEYTWSXEPZ-UHFFFAOYAG
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SMILES- Fc1ccc(cc1Cl)Nc4ncnc3cc(OCCCN2CCOCC2)c(NC(=O)\C=C)cc34
|- | Section2 = ! colspan=2 style="background: #f8eaba; text-align: center;" |Properties
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Chemical formula| C24H25ClFN5O3
|- | Molar mass
| 485.94 g·mol
|- | Section3 = }}
Canertinib (CI-1033) is an experimental drug candidate for the treatment of cancer. It is an irreversible tyrosine-kinase inhibitor with activity against EGFR (IC50 0.8 nM), HER-2 (IC50 19 nM) and ErbB-4 (IC50 7 nM).
References
- Smaill, JB; Rewcastle, GW; Loo, JA; Greis, KD; Chan, OH; Reyner, EL; Lipka, E; Showalter, HD; Vincent, PW (2000). "Tyrosine kinase inhibitors. 17. Irreversible inhibitors of the epidermal growth factor receptor: 4-(phenylamino)quinazoline- and 4-(phenylamino)pyrido3,2-dpyrimidine-6-acrylamides bearing additional solubilizing functions". Journal of medicinal chemistry. 43 (7): 1380–97. PMID 10753475.
- CI-1033 (Canertinib), Selleck Chemicals
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