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Chemical structure of A2AR-agonist-1

GC30987

A2AR-agonist-1

Also known as (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol

A2AR-agonist-1 is a potent agonist of adenosine A2A receptor (A2AR) and equilibrative nucleoside transporter 1 (ENT1), with Ki values of 4·39 and 3·47, respectively

ChemicalCAS41552-95-8MW410.43FormulaC20H22N6O4
CAS number
41552-95-8
Molecular weight
410.43
Formula
C20H22N6O4
Solubility
DMSO： 10 mM
InChIKey
QGCNEMXXKWZPHR-WVSUBDOOSA-N
Catalogue number
GC30987
Brand
GLPBIO
Computed properties PubChem CID 219015 · XLogP 1.7 · TPSA 141 Ų · H-bond donors 5
XLogP
1.7
TPSA
141 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30

SMILES C1=CC=C2C(=C1)C(=CN2)CCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

Computed descriptors from PubChem (CID 219015), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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