Products 120225-54-9

CAS 120225-54-9 appears in our catalog under these names: CGS 21680, CGS 21680 hydrochloride, 99+% , CGS 21680 99%, 4-[2-[[6-Amino-9-(N-ethyl-b-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]benzenepropanoic acid, 99%, 99%, CGS 21680, 99.88%. Offered by: GLPBio, Thermo Scientific (Alfa Aesar), Ambeed, Chemat, MedChemExpress. Available pack sizes: 10mg, 100mg, 5mg, 10mM (in 1ml dmso), 50mg, 1mg, 5 mg, 10 mg.

Structural formula: {0} (CAS {1})

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 formulaC23H29N7O6
Molecular weight499.5 g/mol
IUPAC name3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
InChIKeyPAOANWZGLPPROA-RQXXJAGISA-N
SMILESCCNC(=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)