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Substance Name: Neratinib maleate
RN: 915942-22-2
UNII: 9RM7XY23ZS
InChIKey: VXZCUHNJXSIJIM-MEBGWEOYSA-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.C4-H4-O4

Molecular Weight

  • 673.1227
 

Classification Code

  • Antineoplastic Agents
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Names and Synonyms

Name of Substance

  • Neratinib maleate

Synonyms

  • 2-Butenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:1)
  • hki-272 maleate
  • Neratinib maleate
  • Neratinib maleate [MI]
  • NERLYNX
  • UNII-9RM7XY23ZS

Registry Numbers

CAS Registry Number

  • 915942-22-2

FDA UNII

  • 9RM7XY23ZS

System Generated Number

  • 0915942222

Structure Descriptors

InChI

1S/C30H29ClN6O3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);1-2H,(H,5,6)(H,7,8)/b9-7+;2-1-

InChIKey

VXZCUHNJXSIJIM-MEBGWEOYSA-N

Smiles

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C.OC(=O)\C=C/C(=O)O