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CHEBI:92211 - SL-327

ChEBI IDCHEBI:92211
ChEBI NameSL-327
Stars
DefinitionA nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2.
Last Modified4 May 2016
DownloadsMolfile
FormulaC16H12F3N3S
Net Charge0
Average Mass335.354
Monoisotopic Mass335.07040
SMILESN#CC(=C(N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2
InChIKeyJLOXTZFYJNCPIS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor  An EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor that inhibits the action of mitogen-activated protein kinase kinase (EC 2.7.12.2).
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
SL-327 (CHEBI:92211) has role EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor (CHEBI:88286)
SL-327 (CHEBI:92211) has role neuroprotective agent (CHEBI:63726)
SL-327 (CHEBI:92211) is a (trifluoromethyl)benzenes (CHEBI:83565)
SL-327 (CHEBI:92211) is a enamine (CHEBI:47989)
SL-327 (CHEBI:92211) is a nitrile (CHEBI:18379)
SL-327 (CHEBI:92211) is a organic sulfide (CHEBI:16385)
SL-327 (CHEBI:92211) is a primary amino compound (CHEBI:50994)
SL-327 (CHEBI:92211) is a substituted aniline (CHEBI:48975)
IUPAC Name 
3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]acrylonitrile
Synonyms  Source
SL 327ChemIDplus
SL327ChEBI
3-amino-3-[(4-aminophenyl)thio]-2-[2-(trifluoromethyl)phenyl]-2-propenenitrileLINCS
α-{amino[(4-aminophenyl)thio]methylene}-2-(trifluoromethyl)benzeneacetonitrileChemIDplus
Manual XrefsDatabases
LSM-2253LINCS
Registry NumbersSources
Reaxys:9423720Reaxys
CAS:305350-87-2ChemIDplus
Citations