CHEBI:8983 - SC-58125

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ChEBI Name SC-58125
ChEBI ID CHEBI:8983
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H12F4N2O2S
Net Charge 0
Average Mass 384.34800
Monoisotopic Mass 384.05556
InChI 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
Roles Classification
Biological Role(s): cyclooxygenase 2 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SC-58125 (CHEBI:8983) has role antineoplastic agent (CHEBI:35610)
SC-58125 (CHEBI:8983) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
SC-58125 (CHEBI:8983) is a organofluorine compound (CHEBI:37143)
SC-58125 (CHEBI:8983) is a pyrazoles (CHEBI:26410)
SC-58125 (CHEBI:8983) is a sulfone (CHEBI:35850)
IUPAC Name
5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole
Synonym Source
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole ChemIDplus
Manual Xrefs Databases
C11705 KEGG COMPOUND
LSM-6646 LINCS
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Registry Numbers Types Sources
162054-19-5 CAS Registry Number ChemIDplus
7391749 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11218076 PubMed citation Europe PMC
11687954 PubMed citation Europe PMC
16116973 PubMed citation Europe PMC
Last Modified
25 February 2016