α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile
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![α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5bc79e7e35c0476ea9b8689d37228f49.png "α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile")
α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile
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CAS No:
305350-87-2
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Formula:
C16H12F3N3S
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Chemical Name:
α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-[amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)-;α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile;SL 327
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CAS No:
Description
SL327 inhibits MEK1 and MEK2, with IC50 values of 180 nM and 220 nM, respectively.
SL-327 is a nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups.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. It has a role as an EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor and a neuroprotective agent. It is a member of (trifluoromethyl)benzenes, a nitrile, an enamine, an organic sulfide, a substituted aniline and a primary amino compound.
α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile Basic Attributes
335.35
335.35
DTXSID90429549
Characteristics
101
3.7
white solid
1.4±0.1 g/cm3
127-128.2 °C
512.56°C at 760 mmHg
263.8±30.1 °C
1.631
DMSO: 32 mg/mL
2-8°C
Computed Properties
Molecular Weight:335.3
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:335.07040306
Monoisotopic Mass:335.07040306
Topological Polar Surface Area:101
Heavy Atom Count:23
Complexity:487
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α-[Amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)benzeneacetonitrile
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