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CHEBI:167665 - MP-A08

ChEBI IDCHEBI:167665
ChEBI NameMP-A08
Stars
DefinitionA sulfonamide that consists of two moieties of 4-methyl-N-phenylbenzenesulfonamide connected to each other at position 2 by an aldimine linker. It is a ATP-competitive inhibitor of sphingosine kinase that targets both SK1 and SK2 (Ki values of 27 μM and 6.9 μM, respectively) and exhibits anti-cancer properties.
Last Modified19 March 2021
SubmitterR. Stephan
DownloadsMolfile
FormulaC27H25N3O4S2
Net Charge0
Average Mass519.648
Monoisotopic Mass519.12865
SMILES[H]C(=Nc1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3
InChIKeyFLDBNMYJUMAXDQ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.7.1.91 (sphingosine kinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of sphinganine kinase (EC 2.7.1.91).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
MP-A08 (CHEBI:167665) has role angiogenesis inhibitor (CHEBI:48422)
MP-A08 (CHEBI:167665) has role antineoplastic agent (CHEBI:35610)
MP-A08 (CHEBI:167665) has role apoptosis inducer (CHEBI:68495)
MP-A08 (CHEBI:167665) has role EC 2.7.1.91 (sphingosine kinase) inhibitor (CHEBI:78760)
MP-A08 (CHEBI:167665) is a aldimine (CHEBI:33271)
MP-A08 (CHEBI:167665) is a sulfonamide (CHEBI:35358)
MP-A08 (CHEBI:167665) is a toluenes (CHEBI:27024)
IUPAC Name 
4-methyl-N-{2-[(2-{[(4-methylphenyl)sulfonyl]amino}benzylidene)amino]phenyl}benzenesulfonamide
Synonyms  Source
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamideChEBI
MP A08ChEBI
MPA08ChEBI
Manual XrefsDatabases
24832025ChemSpider
Registry NumbersSources
CAS:219832-49-2ChEBI
Citations