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CHEBI:131326 - JSH-23

ChEBI IDCHEBI:131326
ChEBI NameJSH-23
Stars
DefinitionA diamine that is 1,2-phenylenediamine carrying a methyl substituent at position 4 and a 3-phenylpropyl substituent at position N1.
Secondary ChEBI IDCHEBI:94768
Last Modified15 January 2020
SubmitterSteve
DownloadsMolfile
FormulaC16H20N2
Net Charge0
Average Mass240.350
Monoisotopic Mass240.16265
SMILESCc1ccc(NCCCc2ccccc2)c(N)c1
InChIInChI=1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3
InChIKeyYMFNPBSZFWXMAD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
NF-kappaB inhibitor  An inhibitor of NF-κB (nuclear factor κ-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
ChEBI Ontology
Outgoing Relation(s)
JSH-23 (CHEBI:131326) has functional parent 1,2-phenylenediamine (CHEBI:34043)
JSH-23 (CHEBI:131326) has role NF-κB inhibitor (CHEBI:73240)
JSH-23 (CHEBI:131326) is a diamine (CHEBI:23666)
JSH-23 (CHEBI:131326) is a substituted aniline (CHEBI:48975)
IUPAC Name 
4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
Synonyms  Source
NF-κB activation inhibitor IIChEBI
JSH 23ChEBI
Manual XrefsDatabases
LSM-5897LINCS
Registry NumbersSources
Reaxys:24398255Reaxys
CAS:749886-87-1ChemIDplus
Citations