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CHEBI:90693 - U0126

ChEBI IDCHEBI:90693
ChEBI NameU0126
Stars
DefinitionAn 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.
Secondary ChEBI IDCHEBI:64208
Last Modified8 December 2021
SubmitterSteve
DownloadsMolfile
FormulaC18H16N6S2
Net Charge0
Average Mass380.502
Monoisotopic Mass380.08779
SMILESN#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N
InChIInChI=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+
InChIKeyDVEXZJFMOKTQEZ-JYFOCSDGSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Biological Roles:
osteogenesis regulator  Any compound that induces or regulates osteogenesis.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
U0126.EtOH (CHEBI:90692) has part U0126 (CHEBI:90693)
IUPAC Name 
(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile
Synonyms  Source
U0126ChemIDplus
U 0126ChemIDplus
U-0126ChemIDplus
FT-1069-1ChemIDplus
UniProt Name  Source
U0126UniProt
Manual XrefsDatabases
5BMPDBeChem
U0126Wikipedia
LSM-42806LINCS
Registry NumbersSources
Reaxys:3483750Reaxys
CAS:109511-58-2ChemIDplus
CAS:218601-62-8ChemIDplus
Citations