Macitentan
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
Molecular Identity
Macitentan
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
PubChem CID: 16004692
Macitentan is a member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as an antihypertensive agent, an endothelin receptor antagonist and an orphan drug. It is an aromatic ether, a ring assembly, an organobromine compound, a member of pyrimidines and a member of sulfamides. It is functionally related to an ethylene glycol and an ACT-132577.
2D Structure
Properties
C19H20Br2N6O4S
Molecular Formula
588.30
Molecular Weight
g/mol
587.9613
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
137
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
642
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Macitentan441798-33-0OpsumitACT-064992Actelion-1ACT 064992ACT064992macitentanumZ9K9Y9WMVLCHEBI:76607DTXSID50196063OPSYNVI COMPONENT MACITENTAN{[5-(4-BROMOPHENYL)-6-{2-[(5-BROMOPYRIMIDIN-2-YL)OXY]ETHOXY}PYRIMIDIN-4-YL]SULFAMOYL}(PROPYL)AMINEn-(5-(4-bromophenyl)-6-(2-(5-bromopyrimidin-2-yloxy)ethoxy)pyrimidin-4-yl)-n'-propylaminosulfonamideN-(5-(4-BROMOPHENYL)-6-(2-((5-BROMOPYRIMIDIN-2-YL)OXI)ETHOXY)PYRIMIDIN-4-YL)-N'-PROPYLSULFURIC DIAMIDE
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Macitentan
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