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CHEBI:73284 - N-ethyl-5'-carboxamidoadenosine

ChEBI IDCHEBI:73284
ChEBI NameN-ethyl-5'-carboxamidoadenosine
Stars
ASCII NameN-ethyl-5'-carboxamidoadenosine
DefinitionA derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.
Secondary ChEBI IDCHEBI:44344
Last Modified5 March 2014
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC12H16N6O4
Net Charge0
Average Mass308.298
Monoisotopic Mass308.12330
SMILESCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
InChIKeyJADDQZYHOWSFJD-FLNNQWSLSA-N
Roles Classification
Biological Roles:
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor  An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
adenosine A1 receptor agonist  An agonist at the A1 receptor.
adenosine A2A receptor agonist  An agonist at the A2A receptor.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) has functional parent adenosine (CHEBI:16335)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) has role adenosine A1 receptor agonist (CHEBI:65057)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) has role adenosine A2A receptor agonist (CHEBI:73310)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) has role antineoplastic agent (CHEBI:35610)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) has role vasodilator agent (CHEBI:35620)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) is a adenosines (CHEBI:22260)
N-ethyl-5'-carboxamidoadenosine (CHEBI:73284) is a monocarboxylic acid amide (CHEBI:29347)
Synonyms  Source
NECAChemIDplus
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamideChemIDplus
5'-N-EthylcarboxamidoadenosineChemIDplus
Adenosine-5'-(N-ethylcarboxamide)ChemIDplus
Manual XrefsDatabases
NECPDBeChem
DB03719DrugBank
WO2009006089Patent
US2007281902Patent
Registry NumbersSources
Reaxys:630061Reaxys
CAS:35920-39-9ChemIDplus
Citations