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M  END
> <ID>
CHEBI:90693

> <NAME>
U0126

> <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.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:64208

> <SYNONYM>
U0126; U0126; U-0126; U 0126; FT-1069-1

> <IUPAC_NAME>
(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile

> <FORMULA>
C18H16N6S2

> <MASS>
380.493

> <MONOISOTOPIC_MASS>
380.08779

> <CHARGE>
0

> <SMILES>
C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\N)\C#N)/N

> <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

> <CAS_REGISTRY_NUMBER>
218601-62-8

> <REAXYS_REGISTRY_NUMBER>
3483750

> <CHEMIDPLUS>
109511-58-2

> <LINCS_ACCESSION>
LSM-42806

> <PDBECHEM_ACCESSION>
5BM

> <WIKIPEDIA_ACCESSION>
U0126

> <PUBMED_CITATION>
24947959; 25363751; 25407271; 25492115; 25544156; 26349244; 9660836; 21618303; 22025280; 22052387; 22075021; 22101421; 22129618; 22182511; 22273495; 22286127; 22301382; 22313325; 22354777; 22396328

$$$$