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CHEBI:90844 - selexipag

ChEBI IDCHEBI:90844
ChEBI Nameselexipag
Stars
DefinitionA member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid).
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H32N4O4S
Net Charge0
Average Mass496.633
Monoisotopic Mass496.21443
SMILESCC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)
InChIKeyQXWZQTURMXZVHJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
prostacyclin receptor agonist  An agonist that binds to and activates prostacyclin 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.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
vasodilator agent  A drug used to cause dilation of the blood vessels.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
selexipag (CHEBI:90844) has functional parent ACT-333679 (CHEBI:90848)
selexipag (CHEBI:90844) has role orphan drug (CHEBI:71031)
selexipag (CHEBI:90844) has role platelet aggregation inhibitor (CHEBI:50427)
selexipag (CHEBI:90844) has role prodrug (CHEBI:50266)
selexipag (CHEBI:90844) has role prostacyclin receptor agonist (CHEBI:90845)
selexipag (CHEBI:90844) has role vasodilator agent (CHEBI:35620)
selexipag (CHEBI:90844) is a N-sulfonylcarboxamide (CHEBI:90852)
selexipag (CHEBI:90844) is a aromatic amine (CHEBI:33860)
selexipag (CHEBI:90844) is a ether (CHEBI:25698)
selexipag (CHEBI:90844) is a monocarboxylic acid amide (CHEBI:29347)
selexipag (CHEBI:90844) is a pyrazines (CHEBI:38314)
selexipag (CHEBI:90844) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide
INN  Source
selexipagKEGG DRUG
Synonyms  Source
ACT-293987ChemIDplus
NS 304ChemIDplus
NS-304ChemIDplus
ACT 293987ChemIDplus
Brand Name  Source
UptraviChEBI
Manual XrefsDatabases
D09994KEGG DRUG
SelexipagWikipedia
5077DrugCentral
Registry NumbersSources
Reaxys:11140227Reaxys
CAS:475086-01-2KEGG DRUG
CAS:475086-01-2ChemIDplus
Citations