CGS-21680

CGS-21680 is a specific adenosine A_2A subtype receptor agonist. It is usually presented as an organic hydrochloride salt with a molecular weight of 536.0 g/M. It is soluble up to 3.4 mg/mL in DMSO and 20 mg/mL in 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin.

CGS-21680

Names
IUPAC name 3-[4-[2-[ [6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Other names CGS 21680
Identifiers
CAS Number	120225-54-9 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:73283 N
ChEMBL	ChEMBL331372 Y
ChemSpider	2343185 N
IUPHAR/BPS	375 424
PubChem CID	3086599
UNII	T5HB1E831H Y
CompTox Dashboard (EPA)	DTXSID6043882
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 N Key: PAOANWZGLPPROA-RQXXJAGISA-N N InChI=1/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 Key: PAOANWZGLPPROA-RQXXJAGIBL
SMILES O=C(O)CCc1ccc(cc1)CCNc2nc(c3ncn(c3n2)[C@@H]4O[C@H](C(=O)NCC)[C@@H](O)[C@H]4O)N
Properties
Chemical formula	C23H29N7O6
Molar mass	499.52
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

The chemical is currently used by researchers interested in studying neuronal transmission with a high-affinity, subtype specific analogue for adenosine. This includes research in respiration where it is believed that A_2A receptors are involved in rhythm generation in the pre-Bötzinger complex. The drug is not currently approved for use in a therapeutic capacity.