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CHEBI:131923 - salubrinal

ChEBI IDCHEBI:131923
ChEBI Namesalubrinal
Stars
DefinitionA 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 α (eIF2α).
Last Modified7 March 2018
SubmitterCeri
DownloadsMolfile
FormulaC21H17Cl3N4OS
Net Charge0
Average Mass479.820
Monoisotopic Mass478.01887
SMILESO=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl
InChIInChI=1S/C21H17Cl3N4OS/c22-21(23,24)19(27-17(29)12-11-14-6-2-1-3-7-14)28-20(30)26-16-10-4-8-15-9-5-13-25-18(15)16/h1-13,19H,(H,27,29)(H2,26,28,30)/b12-11+
InChIKeyLCOIAYJMPKXARU-VAWYXSNFSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
salubrinal (CHEBI:131923) has functional parent trans-cinnamamide (CHEBI:76320)
salubrinal (CHEBI:131923) has functional parent trichloroacetaldehyde (CHEBI:48814)
salubrinal (CHEBI:131923) is a aminal (CHEBI:35412)
salubrinal (CHEBI:131923) is a organochlorine compound (CHEBI:36683)
salubrinal (CHEBI:131923) is a quinolines (CHEBI:26513)
salubrinal (CHEBI:131923) is a secondary carboxamide (CHEBI:140325)
salubrinal (CHEBI:131923) is a thioureas (CHEBI:51276)
IUPAC Name 
(2E)-3-phenyl-N-{2,2,2-trichloro-1-[(quinolin-8-ylcarbamothioyl)amino]ethyl}acrylamide
Synonym  Source
(E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamideSUBMITTER
Manual XrefsDatabases
SalubrinalWikipedia
EP2589593Patent
Registry NumbersSources
Reaxys:13925629Reaxys
CAS:405060-95-9ChemIDplus
Citations