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CHEBI:75405 - tyrphostin AG 825

ChEBI IDCHEBI:75405
ChEBI Nametyrphostin AG 825
Stars
DefinitionAn organic sulfide that consists of 1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an epidermal growth factor receptor antagonist.
Last Modified7 March 2018
Submitternamrata
DownloadsMolfile
FormulaC19H15N3O3S2
Net Charge0
Average Mass397.481
Monoisotopic Mass397.05548
SMILESCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O
InChIInChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
InChIKeyKXDONFLNGBQLTN-WUXMJOGZSA-N
Roles Classification
Biological Role:
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
ChEBI Ontology
Outgoing Relation(s)
tyrphostin AG 825 (CHEBI:75405) has functional parent 1,3-benzothiazole-2-thiol (CHEBI:34292)
tyrphostin AG 825 (CHEBI:75405) has role epidermal growth factor receptor antagonist (CHEBI:74440)
tyrphostin AG 825 (CHEBI:75405) is a aromatic ether (CHEBI:35618)
tyrphostin AG 825 (CHEBI:75405) is a benzothiazoles (CHEBI:37947)
tyrphostin AG 825 (CHEBI:75405) is a enamide (CHEBI:51751)
tyrphostin AG 825 (CHEBI:75405) is a nitrile (CHEBI:18379)
tyrphostin AG 825 (CHEBI:75405) is a organic sulfide (CHEBI:16385)
tyrphostin AG 825 (CHEBI:75405) is a phenols (CHEBI:33853)
tyrphostin AG 825 (CHEBI:75405) is a primary carboxamide (CHEBI:140324)
IUPAC Name 
(2E)-3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide
Registry NumbersSources
Reaxys:14612999Reaxys
Citations