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InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:131326 - JSH-23
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ChEBI Ontology
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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
Download
Molfile
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Molfile
Formula
C16H20N2
Net Charge
0
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 (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
NF-kappaB inhibitor
An inhibitor of NF-
kappa
B (nuclear factor
kappa
-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
View more via ChEBI Ontology
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-
N
1
-(3-phenylpropyl)benzene-1,2-diamine
Synonyms
Sources
JSH 23
ChEBI
NF-κB activation inhibitor II
ChEBI
Manual Xref
Database
LSM-5897
LINCS
View more database links
Registry Numbers
Types
Sources
24398255
Reaxys Registry Number
Reaxys
749886-87-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15280016
PubMed citation
Europe PMC
21447040
PubMed citation
Europe PMC
25985852
PubMed citation
Europe PMC
26546572
PubMed citation
Europe PMC
26617761
PubMed citation
Europe PMC
26841509
PubMed citation
Europe PMC
26850096
PubMed citation
Europe PMC
29684396
PubMed citation
Europe PMC
31217746
PubMed citation
Europe PMC
31836503
PubMed citation
Europe PMC
Last Modified
15 January 2020