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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:SC-58125
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Accession:CHEBI:8983 term browser browse the term
Definition:A member of the class of pyrazoles that is 1H-pyrazole substituted by a 4-fluorophenyl group at position 5, a 4-(methylsulfonyl)phenyl group at position 1 and a trifluoromethyl group at position 3. A selective cyclooxygenase 2 inhibitor, it exhibits anticancer property.
Synonyms:exact_synonym: 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole
 related_synonym: 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole;   Formula=C17H12F4N2O2S;   InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3;   InChIKey=JHBIMJKLBUMNAU-UHFFFAOYSA-N;   SMILES=CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
 xref: CAS:162054-19-5;   KEGG:C11705;   LINCS:LSM-6646
 xref_mesh: MESH:C090859
 xref: PMID:11218076;   PMID:11687954;   PMID:16116973;   Reaxys:7391749



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SC-58125 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Atf3 activating transcription factor 3 increases expression ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of ATF3 mRNA; 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of ATF3 protein CTD PMID:14633654 PMID:15897233 NCBI chr13:102,751,278...102,800,520
Ensembl chr13:102,751,321...102,764,631
JBrowse link
G Cyp19a1 cytochrome P450, family 19, subfamily a, polypeptide 1 decreases activity
decreases expression
ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased activity of CYP19A1 protein
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased expression of CYP19A1 mRNA
CTD PMID:15964185 NCBI chr 8:54,552,978...54,580,375
Ensembl chr 8:54,553,165...54,580,758
JBrowse link
G Il1b interleukin 1 beta multiple interactions ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole inhibits the reaction [IL1B results in increased chemical synthesis of 8-epi-prostaglandin F2alpha]; 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole inhibits the reaction [IL1B results in increased chemical synthesis of Dinoprostone] CTD PMID:16529823 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415
JBrowse link
G Pawr pro-apoptotic WT1 regulator increases expression ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of PAWR mRNA CTD PMID:10833474 NCBI chr 7:43,645,028...43,725,033
Ensembl chr 7:43,645,084...43,725,028
JBrowse link
G Ptgs1 prostaglandin-endoperoxide synthase 1 decreases activity ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased activity of PTGS1 protein CTD PMID:9146894 NCBI chr 3:19,584,015...19,605,589
Ensembl chr 3:19,584,015...19,605,586
JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 decreases activity
multiple interactions
ISO
EXP
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in decreased activity of PTGS2 protein
[1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole binds to and results in decreased activity of PTGS2 protein] which results in decreased susceptibility to Streptozocin
CTD PMID:14633654 PMID:17112505 NCBI chr13:62,163,936...62,172,193
Ensembl chr13:62,163,932...62,172,188
JBrowse link
G Tnfrsf10b TNF receptor superfamily member 10b increases expression ISO 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole results in increased expression of TNFRSF10A protein CTD PMID:15572759 NCBI chr15:44,840,386...44,868,318
Ensembl chr15:44,840,386...44,867,467
JBrowse link

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              SC-58125 7
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                                    monocyclic heteroarene 14922
                                      azole 14437
                                        diazole 10534
                                          pyrazoles 2325
                                            SC-58125 7
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