SL-327 (CHEBI:92211)

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ChEBI Name	SL-327

ChEBI ID	CHEBI:92211

Definition	A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups.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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C16H12F3N3S

Net Charge

Average Mass

335.348

Monoisotopic Mass

335.07040

InChI

InChI=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

InChIKey

JLOXTZFYJNCPIS-UHFFFAOYSA-N

SMILES

C1(=CC=CC=C1C(F)(F)F)C(C#N)=C(N)SC2=CC=C(C=C2)N

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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(s):	neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology
Outgoing	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	Sources
3-amino-3-[(4-aminophenyl)thio]-2-[2-(trifluoromethyl)phenyl]-2-propenenitrile	LINCS
α-{amino[(4-aminophenyl)thio]methylene}-2-(trifluoromethyl)benzeneacetonitrile	ChemIDplus
SL 327	ChemIDplus
SL327	ChEBI

Last Modified

04 May 2016