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Substance Name: Neratinib [USAN:INN]
RN: 698387-09-6
UNII: JJH94R3PWB
InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N

Note

  • An orally active, irreversible inhibitor of the HER-2 tyrosine kinase.

    NCI: An orally available, 6,7-disubstituted-4-anilinoquinoline-3-carbonitrile irreversible inhibitor of the HER-2 receptor tyrosine kinase with potential antineoplastic activity. Neratinib binds to the HER-2 receptor irreversibly, thereby reducing autophosphorylation in cells, apparently by targeting a cysteine residue in the ATP-binding pocket of the receptor. Treatment of cells with this agent results in inhibition of downstream signal transduction events and cell cycle regulatory pathways; arrest at the G1-S (Gap 1/DNA synthesis)-phase transition of the cell division cycle; and ultimately decreased cellular proliferation. Neratinib also inhibits the epidermal growth factor receptor (EGFR) kinase and the proliferation of EGFR-dependent cells. (NCI Thesaurus)

Molecular Formula

  • C30-H29-Cl-N6-O3

Molecular Weight

  • 557.0511
 

Classification Codes

  • Antineoplastic Agents
  • Treatment of Cancer
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Names and Synonyms

Name of Substance

  • N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide
  • Neratinib [USAN:INN]

Synonyms

  • HKI 272
  • HKI-272
  • Neratinib
  • Nerlynx
  • PB 272
  • PB-272
  • UNII-JJH94R3PWB

Systematic Names

  • (2E)-N-(4-((3-chloro-4-((pyridin-2-yl)methoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
  • 2-Butenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-

Registry Numbers

CAS Registry Number

  • 698387-09-6

FDA UNII

  • JJH94R3PWB

Other Registry Number

  • 736156-77-7

System Generated Number

  • 0698387096

Structure Descriptors

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+

InChIKey

JWNPDZNEKVCWMY-VQHVLOKHSA-N

Smiles

c1(ncccc1)COc1ccc(Nc2c3cc(NC(=O)/C=C/CN(C)C)c(cc3ncc2C#N)OCC)cc1Cl