Dacomitinib hydrate

For research use only. Not for therapeutic Use.

  • CAT Number: I025502
  • CAS Number: 1042385-75-0
  • Molecular Formula: C24H27ClFN5O3
  • Molecular Weight: 487.95
  • Purity: ≥95%
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Dacomitinib (PF-00299804) hydrate is an orally active, irreversible pan-ErbB inhibitor. Dacomitinib hydrate can be used in the research of cancers such as metastatic non-small cell lung cancer (NSCLC)[1].


Catalog Number I025502
CAS Number 1042385-75-0
Synonyms

(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;hydrate

Molecular Formula C24H27ClFN5O3
Purity ≥95%
InChI InChI=1S/C24H25ClFN5O2.H2O/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31;/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29);1H2/b6-5+;
InChIKey BSPLGGCPNTZPIH-IPZCTEOASA-N
SMILES COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4.O
Reference

[1]. Lau SCM, et al. Dacomitinib in the Management of Advanced Non-Small-Cell Lung Cancer. Drugs. 2019 Jun;79(8):823-831.
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