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Substance Name: Brigatinib [USAN:INN]
RN: 1197953-54-0
UNII: HYW8DB273J
InChIKey: AILRADAXUVEEIR-UHFFFAOYSA-N

Note

  • An anaplastic lymphoma kinase inhibitor.

    NCI: An orally available inhibitor of receptor tyrosine kinases anaplastic lymphoma kinase (ALK) and the epidermal growth factor receptor (EGFR) with potential antineoplastic activity. Brigatinib binds to and inhibits ALK kinase and ALK fusion proteins as well as EGFR and mutant forms. This leads to the inhibition of ALK kinase and EGFR kinase, disrupts their signaling pathways and eventually inhibits tumor cell growth in susceptible tumor cells. In addition, brigatinib appears to overcome mutation-based resistance. ALK belongs to the insulin receptor superfamily and plays an important role in nervous system development; ALK dysregulation and gene rearrangements are associated with a series of tumors. EGFR is overexpressed in a variety of cancer cell types. (NCI Thesaurus)

Molecular Formula

  • C29-H39-Cl-N7-O2-P

Molecular Weight

  • 584.1011
 
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Names and Synonyms

Name of Substance

  • Brigatinib [USAN:INN]

Synonyms

  • (2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethyl-,delta5-phosphanone
  • 2,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)-
  • 5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1- yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine
  • AP 26113
  • AP-26113
  • AP26113
  • Brigatinib
  • Brigatinib [USAN]
  • UNII-HYW8DB273J

Registry Numbers

CAS Registry Number

  • 1197953-54-0

FDA UNII

  • HYW8DB273J

Other Registry Numbers

  • 1350848-43-9
  • 1574359-10-6

System Generated Number

  • 1197953540

Structure Descriptors

InChI

1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)

InChIKey

AILRADAXUVEEIR-UHFFFAOYSA-N

Smiles

COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N5CCN(C)CC5