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CHEBI:75389 - 1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene

ChEBI IDCHEBI:75389
ChEBI Name1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene
Stars
DefinitionA dinitrile that is succinonitrile in which the methylene hydrogens at positions 2 and 3 are substituted by amino(phenylsulfanyl)methylidene groups. It acts as an inhibitor of MEK (mitogen activated protein kinase kinase).
Last Modified30 August 2013
Submitternamrata
DownloadsMolfile
FormulaC18H14N4S2
Net Charge0
Average Mass350.472
Monoisotopic Mass350.06599
SMILESN#CC(=C(/N)Sc1ccccc1)/C(C#N)=C(\N)Sc1ccccc1
InChIInChI=1S/C18H14N4S2/c19-11-15(17(21)23-13-7-3-1-4-8-13)16(12-20)18(22)24-14-9-5-2-6-10-14/h1-10H,21-22H2/b17-15+,18-16+
InChIKeyBDLRGKKVJJEYLC-YTEMWHBBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
protein kinase inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
ChEBI Ontology
Outgoing Relation(s)
1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CHEBI:75389) has parent hydride buta-1,3-diene (CHEBI:39478)
1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CHEBI:75389) has role protein kinase inhibitor (CHEBI:37699)
1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CHEBI:75389) is a aryl sulfide (CHEBI:35683)
1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CHEBI:75389) is a dinitrile (CHEBI:51308)
1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CHEBI:75389) is a enamine (CHEBI:47989)
IUPAC Name 
(2Z,3Z)-bis[amino(phenylsulfanyl)methylidene]butanedinitrile
Synonym  Source
U0125ChEBI
Registry NumbersSources
Reaxys:8073563Reaxys
Citations