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CHEBI:91460 - KN-93

ChEBI IDCHEBI:91460
ChEBI NameKN-93
Stars
DefinitionA sulfonamide resulting from the formal condensation of p-methoxybenzenesulfonic acid with the anilino nitrogen of 2-(aminomethyl)-N-(2-hydroxyethyl)aniline in which the hydrogens of the primary amino group have been replaced by methyl and p-chlorocinnamyl groups. KN-93 is a selective inhibitor of Ca2+/calmodulin-dependent protein kinase II.
Last Modified26 October 2021
DownloadsMolfile
FormulaC26H29ClN2O4S
Net Charge0
Average Mass501.048
Monoisotopic Mass500.15366
SMILESCOc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+
InChIKeyLLLQTDSSHZREGW-AATRIKPKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor  Any EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of a Ca2+/calmodulin-dependent protein kinase (EC 2.7.11.17).
Application:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
KN-93 (CHEBI:91460) has role EC 2.7.11.17 (Ca2+/calmodulin-dependent protein kinase) inhibitor (CHEBI:131794)
KN-93 (CHEBI:91460) has role geroprotector (CHEBI:176497)
KN-93 (CHEBI:91460) is a monochlorobenzenes (CHEBI:83403)
KN-93 (CHEBI:91460) is a monomethoxybenzene (CHEBI:25235)
KN-93 (CHEBI:91460) is a primary alcohol (CHEBI:15734)
KN-93 (CHEBI:91460) is a sulfonamide (CHEBI:35358)
KN-93 (CHEBI:91460) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
Synonyms  Source
KN 93ChemIDplus
KN93ChEBI
N-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamideLINCS
Manual XrefsDatabases
LSM-42804LINCS
Registry NumbersSources
Reaxys:8359108Reaxys
CAS:139298-40-1ChemIDplus
Citations