CHEBI:90693 - U0126

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ChEBI Name U0126
ChEBI ID CHEBI:90693
Definition An aryl sulfide that is (2Z,3Z)-bis[amino(sulfanyl)methylidene]butanedinitrile in which the sulfanyl hydrogens are replaced by 2-aminophenyl groups. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H16N6S2
Net Charge 0
Average Mass 380.493
Monoisotopic Mass 380.088
InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+
InChIKey DVEXZJFMOKTQEZ-JYFOCSDGSA-N
SMILES C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\N)\C#N)/N
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
osteogenesis regulator
Any compound that induces or regulates osteogenesis.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
vasoconstrictor agent
Drug used to cause constriction of the blood vessels.
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ChEBI Ontology
Outgoing U0126 (CHEBI:90693) has role antineoplastic agent (CHEBI:35610)
U0126 (CHEBI:90693) has role antioxidant (CHEBI:22586)
U0126 (CHEBI:90693) has role apoptosis inducer (CHEBI:68495)
U0126 (CHEBI:90693) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
U0126 (CHEBI:90693) has role osteogenesis regulator (CHEBI:63054)
U0126 (CHEBI:90693) has role vasoconstrictor agent (CHEBI:50514)
U0126 (CHEBI:90693) is a aryl sulfide (CHEBI:35683)
U0126 (CHEBI:90693) is a enamine (CHEBI:47989)
U0126 (CHEBI:90693) is a nitrile (CHEBI:18379)
U0126 (CHEBI:90693) is a primary diamine (CHEBI:35410)
U0126 (CHEBI:90693) is a substituted aniline (CHEBI:48975)
Incoming U0126.EtOH (CHEBI:90692) has part U0126 (CHEBI:90693)
IUPAC Name
(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
Synonyms Sources
FT-1069-1 ChemIDplus
U 0126 ChEBI
U-0126 ChemIDplus
Manual Xref Database
U0126 Wikipedia
View more database links
Registry Numbers Types Sources
218601-62-8 CAS Registry Number ChemIDplus
3483750 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24947959 PubMed citation Europe PMC
25363751 PubMed citation Europe PMC
25407271 PubMed citation Europe PMC
25492115 PubMed citation Europe PMC
25544156 PubMed citation Europe PMC
26349244 PubMed citation Europe PMC
Last Modified
04 December 2015