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CHEBI:76607 - macitentan

Default Structure
ChEBI IDCHEBI:76607
ChEBI Namemacitentan
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H20Br2N6O4S
Net Charge0
Average Mass588.282
Monoisotopic Mass585.96335
SMILESCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
InChIInChI=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)
InChIKeyJGCMEBMXRHSZKX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
endothelin receptor antagonist  A hormone antagonist that blocks endothelin receptors.
Applications:
orphan drug  Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
endothelin receptor antagonist  A hormone antagonist that blocks endothelin receptors.
ChEBI Ontology
Outgoing Relation(s)
macitentan (CHEBI:76607) has functional parent ACT-132577 (CHEBI:76609)
macitentan (CHEBI:76607) has functional parent ethylene glycol (CHEBI:30742)
macitentan (CHEBI:76607) has role antihypertensive agent (CHEBI:35674)
macitentan (CHEBI:76607) has role endothelin receptor antagonist (CHEBI:51451)
macitentan (CHEBI:76607) has role orphan drug (CHEBI:71031)
macitentan (CHEBI:76607) is a aromatic ether (CHEBI:35618)
macitentan (CHEBI:76607) is a organobromine compound (CHEBI:37141)
macitentan (CHEBI:76607) is a pyrimidines (CHEBI:39447)
macitentan (CHEBI:76607) is a ring assembly (CHEBI:36820)
macitentan (CHEBI:76607) is a sulfamides (CHEBI:51871)
IUPAC Name 
N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]-N'-propylsulfuric diamide
INNs  Source
macitentanChemIDplus
macitentanWHO MedNet
macitentánWHO MedNet
macitentanumWHO MedNet
Synonyms  Source
ACT 064992ChemIDplus
ACT-064992ChemIDplus
ACT064992ChemIDplus
Brand Name  Source
OPSUMITKEGG DRUG
Manual XrefsDatabases
4809DrugCentral
D10135KEGG DRUG
MacitentanWikipedia
US2008233188Patent
WO2007119214Patent
WO2008026156Patent
Registry NumbersSources
Reaxys:11340634Reaxys
CAS:441798-33-0ChemIDplus
CAS:441798-33-0KEGG DRUG
Citations