5BM

(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile


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Chemical Component Summary

Name(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
Identifiers(2Z)-2,3-bis[amino-(2-aminophenyl)sulfanyl-methylidene]butanedinitrile
FormulaC18 H16 N6 S2
Molecular Weight380.49
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N
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

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count43
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB17060 
NameU-0126
Groups investigational
DescriptionU-0126 is a direct inhibitor of the mitogen-activated protein-kinase kinase family members, MEK-1 and MEK-2.[A253162]
Synonyms
  • Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-, (2z,3z)-
  • 1,4-diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
  • U-0126-EtOH
  • U-0126
Categories
  • Alkadienes
  • Alkenes
  • Enzyme Inhibitors
  • Hydrocarbons, Acyclic
  • Polyenes
CAS number218601-62-8

Related Resource References

Resource NameReference
PubChem 3006531
ChEMBL CHEMBL34704
ChEBI CHEBI:91463, CHEBI:64208, CHEBI:90693