(Rac)-Pyrotinib

For research use only. Not for therapeutic Use.

  • CAT Number: I020441
  • CAS Number: 1246089-97-3
  • Molecular Formula: C32H31ClN6O3
  • Molecular Weight: 583.08
  • Purity: ≥95%
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(Rac)-Pyrotinib ((Rac)-SHR-1258) is the racemate of Pyrotinib (HY-104065). Pyrotinib is a potent and selective EGFR/HER2 dual inhibitor.


Catalog Number I020441
CAS Number 1246089-97-3
Synonyms

(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-(1-methylpyrrolidin-2-yl)prop-2-enamide

Molecular Formula C32H31ClN6O3
Purity ≥95%
InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+
InChIKey SADXACCFNXBCFY-ZRDIBKRKSA-N
SMILES CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CC5CCCN5C
Reference

[1]. Li X, et al. Discovery and development of Pyrotinib: A novel irreversible EGFR/HER2 dual tyrosine kinase inhibitor with favorable safety profiles for the treatment of breast cancer. Eur J Pharm Sci. 2017 Jan 21. pii: S0928-0987(17)30043-X.
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