EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131358 - BAY 60-6583

Default Structure
ChEBI IDCHEBI:131358
ChEBI NameBAY 60-6583
Stars
DefinitionA member of the class of cyanopyridines that is 6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-sulfanylpyridine in which the hydroxy and sulfanyl hydrogens are replaced by cyclopropylmethyl and carboxamidomethyl groups respectively.
Last Modified8 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H17N5O2S
Net Charge0
Average Mass379.445
Monoisotopic Mass379.11030
SMILESN#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)
InChIKeyZTYHZMAZUWOXNC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
adenosine A2B receptor agonist  An agonist at the A2B receptor.
Applications:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
BAY 60-6583 (CHEBI:131358) has role adenosine A2B receptor agonist (CHEBI:131359)
BAY 60-6583 (CHEBI:131358) has role anti-inflammatory agent (CHEBI:67079)
BAY 60-6583 (CHEBI:131358) has role cardioprotective agent (CHEBI:77307)
BAY 60-6583 (CHEBI:131358) is a aminopyridine (CHEBI:38207)
BAY 60-6583 (CHEBI:131358) is a aromatic ether (CHEBI:35618)
BAY 60-6583 (CHEBI:131358) is a aryl sulfide (CHEBI:35683)
BAY 60-6583 (CHEBI:131358) is a cyanopyridine (CHEBI:23438)
BAY 60-6583 (CHEBI:131358) is a cyclopropanes (CHEBI:51454)
BAY 60-6583 (CHEBI:131358) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
2-({6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide
Manual XrefsDatabases
BAY_60-6583Wikipedia
Registry NumbersSources
Reaxys:15017054Reaxys
CAS:910487-58-0ChemIDplus
Citations