Terminology Service for NFDI4Health
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tyrphostin AG 825

Go to external page http://purl.obolibrary.org/obo/CHEBI_75405

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.

Term info

Label

tyrphostin AG 825

Synonyms
  • (2E)-3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide
database cross reference
Subsets

3_STAR

IUPAC NAME
(2E)-3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide [ IUPAC ]

charge

0

formula

C19H15N3O3S2

has obo namespace

chebi_ontology

id

CHEBI:75405

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

mass

397.474

monoisotopicmass

397.05548

smiles

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