CHEBI:131923 - salubrinal

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ChEBI Name salubrinal ChEBI ID CHEBI:131923 Definition 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 α (eIF2α). Stars This entity has been manually annotated by the ChEBI Team. Submitter Ceri Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C21H17Cl3N4OS Net Charge 0 Average Mass 479.812 Monoisotopic Mass 478.01887 InChI InChI=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+ InChIKey LCOIAYJMPKXARU-VAWYXSNFSA-N SMILES C=1C=2C(C(=CC1)NC(NC(NC(/C=C/C=3C=CC=CC3)=O)C(Cl)(Cl)Cl)=S)=NC=CC2 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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-enamide SUBMITTER Manual Xrefs Databases EP2589593 Patent Salubrinal Wikipedia View more database links Registry Numbers Types Sources 13925629 Reaxys Registry Number Reaxys 405060-95-9 CAS Registry Number ChemIDplus Citations Types Sources 15705855 PubMed citation Europe PMC 22610062 PubMed citation Europe PMC 23178987 PubMed citation Europe PMC 23473976 PubMed citation Europe PMC 23603983 PubMed citation Europe PMC 23816340 PubMed citation Europe PMC 23824972 PubMed citation Europe PMC 24418467 PubMed citation Europe PMC 24728926 PubMed citation Europe PMC 25030410 PubMed citation Europe PMC 25157407 PubMed citation Europe PMC 25230871 PubMed citation Europe PMC 25435425 PubMed citation Europe PMC 25582550 PubMed citation Europe PMC 25619567 PubMed citation Europe PMC 25816071 PubMed citation Europe PMC 25882497 PubMed citation Europe PMC 25977571 PubMed citation Europe PMC 26021511 PubMed citation Europe PMC 26193263 PubMed citation Europe PMC 26328492 PubMed citation Europe PMC 26505387 PubMed citation Europe PMC 26743901 PubMed citation Europe PMC 26889171 PubMed citation Europe PMC 27123756 PubMed citation Europe PMC 27131989 PubMed citation Europe PMC Last Modified 07 March 2018