JSH-23 (CHEBI:131326)

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ChEBI Name	JSH-23

ChEBI ID	CHEBI:131326

Definition	A diamine that is 1,2-phenylenediamine carrying a methyl substituent at position 4 and a 3-phenylpropyl substituent at position N1.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:94768

Supplier Information	ZINC000066124112

Download	Molfile XML SDF

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Formula

C16H20N2

Net Charge

Average Mass

240.350

Monoisotopic Mass

240.16265

InChI

InChI=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

InChIKey

YMFNPBSZFWXMAD-UHFFFAOYSA-N

SMILES

C1(=CC=C(C=C1N)C)NCCCC2=CC=CC=C2

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	NF-kappaB inhibitor An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.

ChEBI Ontology
Outgoing	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	Sources
JSH 23	ChEBI
NF-κB activation inhibitor II	ChEBI

Last Modified

15 January 2020