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Substance Name: Ponatinib hydrochloride [USAN]
RN: 1114544-31-8
UNII: 96R6PU3D8J
InChIKey: BWTNNZPNKQIADY-UHFFFAOYSA-N

Note

  • A pan-Bcr-Abl protein kinase Inhibitor.

    NCI: An orally bioavailable multitargeted receptor tyrosine kinase (RTK) inhibitor with potential antiangiogenic and antineoplastic activities. Ponatinib hydrochloride inhibits unmutated and all mutated forms of Bcr-Abl, including T315I, the highly drug therapy-resistant missense mutation of Bcr-Abl. This agent also inhibits other tyrosine kinases including those associated with vascular endothelial growth factor receptors (VEGFRs) and fibroblast growth factor receptors (FGFRs); in addition, it inhibits the tyrosine kinase receptor TIE2 and FMS-related tyrosine kinase receptor-3 (Flt3). RTK inhibition by ponatinib hydrochloride may result in the inhibition of cellular proliferation and angiogenesis and may induce cell death. Bcr-Abl is a fusion tyrosine kinase encoded by the Philadelphia chromosome. (NCI Thesaurus)

Molecular Formula

  • C29-H27-F3-N6-O.Cl-H

Molecular Weight

  • 569.0282
 

Classification Codes

  • Antineoplastic
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Protein Kinase Inhibitors
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Names and Synonyms

Name of Substance

  • Ponatinib hydrochloride [USAN]

Synonyms

  • 3-(2-(Imidazo(1,2-b)pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1- yl)methyl)-3-(trifluoromethyl)phenyl)benzamide monohydrochloride
  • AP 24534 hydrochloride
  • AP24534 HCl
  • Iclusig
  • Ponatinib hydrochloride
  • UNII-96R6PU3D8J

Systematic Name

  • Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methyl-1- piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)

Registry Numbers

CAS Registry Number

  • 1114544-31-8

FDA UNII

  • 96R6PU3D8J

System Generated Number

  • 1114544318

Molecular Formulas

Molecular Formula

  • C29-H27-F3-N6-O.Cl-H

Molecular Formula Fragments

  • C29-H27-F3-N6-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H27F3N6O.ClH/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37;/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39);1H

InChIKey

BWTNNZPNKQIADY-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C.Cl