CHEBI:90692 - U0126.EtOH

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ChEBI Name U0126.EtOH
ChEBI ID CHEBI:90692
Definition An addition compound obtained by combining equimolar amounts of (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile (U0126) and ethanol. 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 C20H22N6OS2
Net Charge 0
Average Mass 426.561
Monoisotopic Mass 426.130
InChI InChI=1S/C18H16N6S2.C2H6O/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;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+;
InChIKey CFQULUVMLGZVAF-OYJDLGDISA-N
SMILES C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\N)\C#N)/N.CCO
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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.EtOH (CHEBI:90692) has part U0126 (CHEBI:90693)
U0126.EtOH (CHEBI:90692) has role antineoplastic agent (CHEBI:35610)
U0126.EtOH (CHEBI:90692) has role antioxidant (CHEBI:22586)
U0126.EtOH (CHEBI:90692) has role apoptosis inducer (CHEBI:68495)
U0126.EtOH (CHEBI:90692) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
U0126.EtOH (CHEBI:90692) has role osteogenesis regulator (CHEBI:63054)
U0126.EtOH (CHEBI:90692) has role vasoconstrictor agent (CHEBI:50514)
U0126.EtOH (CHEBI:90692) is a addition compound (CHEBI:35504)
IUPAC Name
(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile—ethanol (1:1)
Synonyms Sources
U0126 ethanolate ChEBI
U0126-EtOH ChEBI
Manual Xref Database
U0126 Wikipedia
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Registry Number Type Source
28046614 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26116534 PubMed citation Europe PMC
Last Modified
04 December 2015