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
-
pyrazinesView Class →
CHEBI:38314
-
etherView Class →
CHEBI:25698
-
monocarboxylic acidView Class →
CHEBI:25384
-
sulfonamideView Class →
CHEBI:35358
-
tertiary amino compoundView Class →
CHEBI:50996
-
aromatic amineView Class →
CHEBI:33860
-
t316865
-
t317430
-
t317448
-
t317457
-
t317542
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
🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.
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