ACT-333679

CHEBI:CHEBI_90848

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.

Chemical Information

Molecular Formula
C25H29N3O3
Molecular Mass
419.517
Charge
0
SMILES
C1(=C(N=CC(=N1)N(CCCCOCC(O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3
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)
InChIKey
OJQMKCBWYCWFPU-UHFFFAOYSA-N

Alternative Names

  • {4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid
  • ACT 333679
  • ACT333679
  • MRE 269
  • MRE-269
  • MRE269

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Reaxys:11140228
core#notation
CHEBI:90848

Additional References

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Additional Attributes

chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_90844
owl#annotatedSource
t317886
owl#someValuesFrom
t317767
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Reaxys:11140228
oboInOwl#id
CHEBI:90848
core#notation
CHEBI:90848
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_49103
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class