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ONTOLOGY REPORT - ANNOTATIONS


Term:ACT-333679
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Accession:CHEBI:90848 term browser browse the term
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.
Synonyms:exact_synonym: {4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid
 related_synonym: ACT333679;   Formula=C25H29N3O3;   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;   MRE 269;   MRE269;   SMILES=C1(=C(N=CC(=N1)N(CCCCOCC(O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3
 xref: CAS:475085-57-5 "ChemIDplus";   PMID:23872196 "Europe PMC";   PMID:24392948 "Europe PMC";   PMID:25277144 "Europe PMC";   PMID:25552906 "Europe PMC";   PMID:25850750 "Europe PMC";   PMID:25851691 "Europe PMC";   PMID:26152132 "Europe PMC";   PMID:26291199 "Europe PMC";   Reaxys:11140228 "Reaxys"


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      application 19350
        pharmaceutical 19224
          drug 19224
            orphan drug 71
              ACT-333679 0
                selexipag 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic acid 17973
                                        monocarboxylic acid 17268
                                          ACT-333679 0
                                            selexipag 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.