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CHEBI:90842 - SR9243

ChEBI IDCHEBI:90842
ChEBI NameSR9243
Stars
DefinitionA sulfonamide resulting from the formal condensation of the sulfonic acid group of mesitylene-2-sulphonic acid with the amino group of 2-(m-bromophenyl)ethylamine in which the nitrogen is substituted by a 4-[m-(methylsulfonyl)phenyl]benzyl group.
Last Modified6 January 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC31H32BrNO4S2
Net Charge0
Average Mass626.638
Monoisotopic Mass625.09561
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2cccc(Br)c2)Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(C)c1
InChIInChI=1S/C31H32BrNO4S2/c1-22-17-23(2)31(24(3)18-22)39(36,37)33(16-15-25-7-5-9-29(32)19-25)21-26-11-13-27(14-12-26)28-8-6-10-30(20-28)38(4,34)35/h5-14,17-20H,15-16,21H2,1-4H3
InChIKeyFYQFEJFTCLKXTQ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
liver X receptor inverse agonist  An inverse agonist that binds to the same receptor as a liver X receptor agonist, but which induces a pharmacological response opposite to that agonist.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
SR9243 (CHEBI:90842) has role antineoplastic agent (CHEBI:35610)
SR9243 (CHEBI:90842) has role apoptosis inducer (CHEBI:68495)
SR9243 (CHEBI:90842) has role liver X receptor inverse agonist (CHEBI:90846)
SR9243 (CHEBI:90842) is a bromobenzenes (CHEBI:37149)
SR9243 (CHEBI:90842) is a sulfonamide (CHEBI:35358)
SR9243 (CHEBI:90842) is a sulfone (CHEBI:35850)
IUPAC Name 
N-[2-(3-bromophenyl)ethyl]-2,4,6-trimethyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}benzenesulfonamide
Synonyms  Source
SR-9243ChEBI
SR 9243ChEBI
Registry NumbersSources
Reaxys:26903919Reaxys
Citations