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CAS 698387-09-6

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Neratinib

Description:
Neratinib is a small molecule tyrosine kinase inhibitor primarily used in the treatment of certain types of breast cancer, particularly those that are HER2-positive. It functions by irreversibly binding to the HER2 receptor, thereby inhibiting its signaling pathways that promote tumor growth and proliferation. Neratinib is characterized by its chemical formula, which includes a complex structure featuring a quinazoline core. It is typically administered orally and has a relatively long half-life, allowing for once-daily dosing. The substance is known for its potential side effects, which may include diarrhea, nausea, and fatigue, among others. Neratinib has been studied in various clinical trials and has received regulatory approval for use in specific patient populations, highlighting its significance in targeted cancer therapy. Its mechanism of action and efficacy make it a valuable option in the therapeutic landscape for HER2-positive breast cancer, particularly in patients who have previously been treated with trastuzumab.
Formula:C30H29ClN6O3
InChI:InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
InChI key:InChIKey=JWNPDZNEKVCWMY-VQHVLOKHSA-N
SMILES:N(C=1C2=C(C=C(OCC)C(NC(/C=C/CN(C)C)=O)=C2)N=CC1C#N)C3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3
Synonyms:
  • (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
  • (2E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
  • (2E)-N-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
  • (E)-N-[4-[3-Chloro-4-[(2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
  • (E)-N-[4-[[3-Chloro-4-((pyridin-2-yl)methoxy)phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)-2-butenamide
  • 2-Butenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-
  • Hki-272
  • Neratinib
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