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CHEBI:64212 - sulindac sulfone

ChEBI IDCHEBI:64212
ChEBI Namesulindac sulfone
Stars
DefinitionA sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor.
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H17FO4S
Net Charge0
Average Mass372.417
Monoisotopic Mass372.08316
SMILESCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
InChIKeyMVGSNCBCUWPVDA-MFOYZWKCSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor  A lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34).
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
ChEBI Ontology
Outgoing Relation(s)
sulindac sulfone (CHEBI:64212) has functional parent sulindac (CHEBI:9352)
sulindac sulfone (CHEBI:64212) has role apoptosis inducer (CHEBI:68495)
sulindac sulfone (CHEBI:64212) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
sulindac sulfone (CHEBI:64212) has role EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor (CHEBI:64964)
sulindac sulfone (CHEBI:64212) is a monocarboxylic acid (CHEBI:25384)
sulindac sulfone (CHEBI:64212) is a organofluorine compound (CHEBI:37143)
sulindac sulfone (CHEBI:64212) is a sulfone (CHEBI:35850)
IUPAC Name 
{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetic acid
INN  Source
exisulindChemIDplus
Synonyms  Source
5-Fluoro-2-methyl-1-((Z)-p-(methylsulfonyl)benzylidene)indene-3-acetic acidChEBI
cis-5-Fluoro-2-methyl-1-(p-methylsulfonylbenzylidenyl)indene-3-acetic acidChEBI
Manual XrefsDatabases
ExisulindWikipedia
EP1336602Patent
US5776962Patent
US5696159Patent
3219DrugCentral
Registry NumbersSources
Reaxys:7887099Reaxys
CAS:59973-80-7ChemIDplus
Citations