CHEBI:73283 - CGS-21680

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ChEBI Name CGS-21680
ChEBI ID CHEBI:73283
Definition A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C23H29N7O6
Net Charge 0
Average Mass 499.51970
Monoisotopic Mass 499.218
InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
InChIKey PAOANWZGLPPROA-RQXXJAGISA-N
SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): adenosine A2A receptor agonist
An agonist at the A2A receptor.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
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ChEBI Ontology
Outgoing CGS-21680 (CHEBI:73283) has functional parent adenosine (CHEBI:16335)
CGS-21680 (CHEBI:73283) has role adenosine A2A receptor agonist (CHEBI:73310)
CGS-21680 (CHEBI:73283) has role anti-inflammatory agent (CHEBI:67079)
CGS-21680 (CHEBI:73283) is a adenosines (CHEBI:22260)
CGS-21680 (CHEBI:73283) is a dicarboxylic acid monoamide (CHEBI:35735)
CGS-21680 (CHEBI:73283) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
3-{4-[2-({6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl]-9H-purin-2-yl}amino)ethyl]phenyl}propanoic acid
Synonyms Sources
2-(4-(2-Carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine ChemIDplus
4-(2-((6-Amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)benzenepropanoic acid ChemIDplus
CGS 21680 ChemIDplus
Database Link Database
CGS-21680 Wikipedia
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Registry Numbers Types Sources
120225-54-9 CAS Registry Number ChemIDplus
3641320 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20971164 PubMed citation Europe PMC
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Last Modified
05 March 2014