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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate
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Accession:CHEBI:64053 term browser browse the term
Definition:A maleate salt that is the dimaleate salt of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration.
Synonyms:exact_synonym: 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline di[(2Z)-but-2-enedioate]
 related_synonym: CGS 12066B;   CGS 12066B dimaleate;   Formula=C25H25F3N4O8;   InChI=1S/C17H17F3N4.2C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;2*5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-;   InChIKey=HTEVMLYDEWVIQE-SPIKMXEPSA-N;   SMILES=[H+].[H+].[H+].[H+].[O-]C(=O)\\C=C/C([O-])=O.[O-]C(=O)\\C=C/C([O-])=O.CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
 xref: CAS:109028-10-6
 xref_mesh: MESH:C052561


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4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Calca calcitonin-related polypeptide alpha decreases expression EXP CGS 12066B results in decreased expression of CALCA mRNA CTD PMID:14715155 NCBI chr 1:184,184,018...184,188,922
Ensembl chr 1:184,184,020...184,188,911
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G Htr1b 5-hydroxytryptamine receptor 1B affects binding EXP CGS 12066B binds to HTR1B protein CTD PMID:11888550 NCBI chr 8:89,113,984...89,130,830
Ensembl chr 8:89,129,453...89,130,991
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Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      application 19391
        pro-agent 8829
          prodrug 8609
            4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    main group molecular entity 19670
                      s-block molecular entity 19428
                        hydrogen molecular entity 19418
                          hydrides 18685
                            inorganic hydride 17409
                              pnictogen hydride 17381
                                nitrogen hydride 17223
                                  azane 16940
                                    ammonia 16939
                                      organic amino compound 16938
                                        tertiary amino compound 8629
                                          N-arylpiperazine 2739
                                            4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline 2
                                              4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate 2
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