CHEBI:90842 - SR9243

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ChEBI Name SR9243
ChEBI ID CHEBI:90842
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C31H32BrNO4S2
Net Charge 0
Average Mass 626.627
Monoisotopic Mass 625.09561
InChI InChI=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
InChIKey FYQFEJFTCLKXTQ-UHFFFAOYSA-N
SMILES C=1(S(N(CC=2C=CC(=CC2)C3=CC=CC(=C3)S(C)(=O)=O)CCC=4C=C(C=CC4)Br)(=O)=O)C(=CC(=CC1C)C)C
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
SR 9243 ChEBI
SR-9243 ChEBI
Registry Number Type Source
26903919 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26120082 PubMed citation SUBMITTER
Last Modified
06 January 2016