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CHEBI:167665 - MP-A08

Default Structure
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:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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).
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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