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, 99%

cas: 120225-54-9 — see every product listed under this CAS number, including other names

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, 99% (CAS 120225-54-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 50mg, 100mg. Offered by: BLDpharm.

• 2D
• 3D

CGS-21680 is 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. It has a role as an anti-inflammatory agent and an adenosine A2A receptor agonist. It is a member of adenosines, a monocarboxylic acid and a dicarboxylic acid monoamide. It is functionally related to an adenosine.

Source: ChEBI

Identity

Molecular formula	C23H29N7O6
Molecular weight	499.5 g/mol
IUPAC name	3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
InChIKey	PAOANWZGLPPROA-RQXXJAGISA-N
SMILES	CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O

Computed by PubChem (NCBI)

Synonyms: Cgs 21680, 2-(4-(2-Carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine, 2-[p-(2-Carboxyethyl)phenylethyl-Amino]-5'-N-Ethylcarboxamido Adenosine, PAOANWZGLPPROA-RQXXJAGISA-N, NGI, orb1685664, 2-p-(2-carboxyethyl)phenethylamino-5''''''''-N-ethylcarboxamidoadenosine

Related forms of this compound

3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid C₂₃H₂₉N₇O₆

Isomers (same molecular formula)

methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate C₂₃H₂₉N₇O₆

(2S)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide C₂₃H₂₉N₇O₆