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Substance Name: Macitentan [USAN:INN]
RN: 441798-33-0
UNII: Z9K9Y9WMVL
InChIKey: JGCMEBMXRHSZKX-UHFFFAOYSA-N

Note

  • NCI: An orally available dual endothelin receptor (ETR) antagonist with potential antihypertensive and antineoplastic activity. Upon administration, macitentan and its metabolites block the binding of endothelin isoform 1 (ET-1) to type-A and type-B ETR on both the tumor cells and the endothelial cells in the tumor vasculature. This prevents ET-1 mediated signaling transduction which may decrease tumor cell proliferation, progression, and angiogenesis in tumor tissue. ET-1, a potent vasoconstrictor that plays an important role in inflammation and tissue repair, is, together with its receptors, overexpressed varyingly in many tumor cell types. (NCI Thesaurus)

Molecular Formula

  • C19-H20-Br2-N6-O4-S

Molecular Weight

  • 588.279
 

Classification Codes

  • Endothelin a Receptor Antagonists
  • Endothelin B Receptor Antagonists
  • Endothelin Receptor Antagonists
  • Pulmonary Arterial Hypertension, Idiopathic Pulmonary Fibrosis, Oncology

Names and Synonyms

Name of Substance

  • Macitentan [USAN:INN]

Synonyms

  • ACT 064992
  • ACT-064992
  • ACT064992
  • Actelion-1
  • Macitentan
  • Opsumit
  • UNII-Z9K9Y9WMVL

Systematic Name

  • N-(5-(4-Bromophenyl)-6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)pyrimidin-4-yl)-N'-propylsulfamide

Registry Numbers

CAS Registry Number

  • 441798-33-0

FDA UNII

  • Z9K9Y9WMVL

System Generated Number

  • 0441798330

Structure Descriptors

InChI

1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)

InChIKey

JGCMEBMXRHSZKX-UHFFFAOYSA-N

Smiles

CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1c3ccc(Br)cc3