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.
Secondary ChEBI IDs CHEBI:64208
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Formula C18H16N6S2
Net Charge 0
Average Mass 380.493
Monoisotopic Mass 380.08779
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 dinitrile (CHEBI:51308)
U0126 (CHEBI:90693) is a enamine (CHEBI:47989)
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]methylene}succinonitrile
Synonyms Sources
FT-1069-1 ChemIDplus
U 0126 ChemIDplus
U-0126 ChemIDplus
U0126 ChemIDplus
Manual Xrefs Databases
5BM PDBeChem
LSM-42806 LINCS
U0126 Wikipedia
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Registry Numbers Types Sources
109511-58-2 CAS Registry Number ChemIDplus
218601-62-8 CAS Registry Number ChemIDplus
3483750 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
04 January 2019