tyrphostin AG 825 (CHEBI:75405)

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ChEBI Name	tyrphostin AG 825

ChEBI ID	CHEBI:75405

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C19H15N3O3S2

Net Charge

Average Mass

397.474

Monoisotopic Mass

397.05548

InChI

InChI=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+

InChIKey

KXDONFLNGBQLTN-WUXMJOGZSA-N

SMILES

C(=C/C=1C=C(CSC2=NC=3C=CC=CC3S2)C(=C(C1)OC)O)(\C(=O)N)/C#N

Roles Classification
Biological Role(s):	epidermal growth factor receptor antagonist An antagonist at the epidermal growth factor receptor.

ChEBI Ontology
Outgoing	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 Number	Type	Source
14612999	Reaxys Registry Number	Reaxys

Last Modified

07 March 2018