For research use only. Not for therapeutic Use.
A2AR-agonist-1 is a potent A2AR and ENT1 agonist with Ki of 4.39 and 3.47 for A2AR and ENT1.
IC50 value: 4.39 and 3.47 (Ki) [1]
Target: A2AR and ENT1
A2AR-agonist-1 is a novel dual-action compound, targeting the Adenosine A2A Receptor and Adenosine Transporter for Neuroprotection.[1]
| CAS Number | 41552-95-8 |
| Synonyms | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol |
| Molecular Formula | C20H22N6O4 |
| Purity | ≥95% |
| InChI | InChI=1S/C20H22N6O4/c27-8-14-16(28)17(29)20(30-14)26-10-25-15-18(23-9-24-19(15)26)21-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,27-29H,5-6,8H2,(H,21,23,24)/t14-,16-,17-,20-/m1/s1 |
| InChIKey | QGCNEMXXKWZPHR-WVSUBDOOSA-N |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O |
| Reference | [1]. Chen JB, et al. Design and synthesis of novel dual-action compounds targeting the adenosine A(2A) receptor and adenosine transporter for neuroprotection. ChemMedChem. 2011 Aug 1;6(8):1390-1400. [2]. Lin Yun-Lian, et al. Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases. From PCT Int. Appl. (2012), WO 2012064340 A1 20120518. [3]. Chen, Chih-Cheng, et al. Methods and compositions for treating pain. From PCT Int. Appl. (2013), WO 2013120078 A1 20130815. |
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