(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide
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![(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a342fbad55dc41748419ebb38db6093c.png "(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide")
(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide
structure -
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CAS No:
405060-95-9
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Formula:
C21H17Cl3N4OS
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Chemical Name:
(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide
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Synonyms:
2-Propenamide,3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-,(2E)-;(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide;Salubrinal
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CAS No:
Description
Salubrinal is a cell-permeable and selective inhibitor of eIF2α dephosphorylation.
Salubrinal is a member of the class of quinolines that is a mixed aminal resulting from the formal condensation oftrichloroacetaldehyde with the amide nitrogen of trans-cinnamamide and the primary amino group of 1-quinolin-8-ylthiourea. It is a selective inhibitor of cellular complexes that dephosphorylate eukaryotic translation initiation factor 2 subunit alpha (eIF2alpha). It is a member of quinolines, a member of thioureas, an aminal, an organochlorine compound and a secondary carboxamide. It derives from a trichloroacetaldehyde and a trans-cinnamamide.
(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide Basic Attributes
479.81
479.81
DTXSID70420852
Characteristics
98.1
5.2
white to light yellow to light gray
1.5±0.1 g/cm3
1.732
Insoluble in water.DMSO: soluble 20mg/mL, clear
Store at +4°C
Safety Information
NONH for all modes of transport
3
36/37/38
26
Xi
P261-P305 + P351 + P338
H315-H319-H335
(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide Use and Manufacturing
Salubrinal is an endoplasmic reticulum stress blocker that modulates sleep homeostasis and activation of sleep- and wake-regulatory neurons
Computed Properties
Molecular Weight:479.8
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:478.018865
Monoisotopic Mass:478.018865
Topological Polar Surface Area:98.1
Heavy Atom Count:30
Complexity:622
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2E)-3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide
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