CHEBI:90848 - ACT-333679

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ACT-333679
Definition A member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H29N3O3
Net Charge 0
Average Mass 419.517
Monoisotopic Mass 419.22089
InChI InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): prostacyclin receptor agonist
An agonist that binds to and activates prostacyclin receptors
drug metabolite

Application(s): 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.
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.
vasodilator agent
A drug used to cause dilation of the blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ACT-333679 (CHEBI:90848) has role drug metabolite (CHEBI:49103)
ACT-333679 (CHEBI:90848) has role orphan drug (CHEBI:71031)
ACT-333679 (CHEBI:90848) has role platelet aggregation inhibitor (CHEBI:50427)
ACT-333679 (CHEBI:90848) has role prostacyclin receptor agonist (CHEBI:90845)
ACT-333679 (CHEBI:90848) has role vasodilator agent (CHEBI:35620)
ACT-333679 (CHEBI:90848) is a aromatic amine (CHEBI:33860)
ACT-333679 (CHEBI:90848) is a ether (CHEBI:25698)
ACT-333679 (CHEBI:90848) is a monocarboxylic acid (CHEBI:25384)
ACT-333679 (CHEBI:90848) is a pyrazines (CHEBI:38314)
ACT-333679 (CHEBI:90848) is a sulfonamide (CHEBI:35358)
ACT-333679 (CHEBI:90848) is a tertiary amino compound (CHEBI:50996)
Incoming selexipag (CHEBI:90844) has functional parent ACT-333679 (CHEBI:90848)
{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid
Synonyms Sources
ACT 333679 ChemIDplus
ACT333679 ChEBI
MRE 269 ChemIDplus
MRE-269 ChemIDplus
Registry Numbers Types Sources
11140228 Reaxys Registry Number Reaxys
475085-57-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23872196 PubMed citation Europe PMC
24392948 PubMed citation Europe PMC
25277144 PubMed citation Europe PMC
25552906 PubMed citation Europe PMC
25850750 PubMed citation Europe PMC
25851691 PubMed citation Europe PMC
26152132 PubMed citation Europe PMC
26291199 PubMed citation Europe PMC
Last Modified
08 July 2016