For research use only. Not for therapeutic Use.
HEMADO(CAT: I010431) is a potent and selective adenosine A₃ receptor agonist with a Ki of 1.1 nM at the human A₃ subtype. It exhibits markedly lower affinity for other adenosine receptors, with Ki values of 327 nM (A₁), 1230 nM (A₂A), and an EC₅₀ of 100 μM (A₂B), highlighting its strong subtype selectivity. In addition to its pharmacological activity, HEMADO contains an alkyne functional group, enabling its use in click chemistry applications such as copper-catalyzed azide–alkyne cycloaddition (CuAAC) with azide-containing molecules. This dual functionality makes HEMADO a versatile research tool for studying A₃ receptor signaling, drug discovery, and chemical biology.
| CAS Number | 403842-38-6 |
| Synonyms | (2R,3R,4S,5R)-2-[2-hex-1-ynyl-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
| Molecular Formula | C17H23N5O4 |
| Purity | ≥95% |
| IUPAC Name | (2R,3R,4S,5R)-2-[2-hex-1-ynyl-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
| InChI | InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)26-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,18,20,21)/t10-,13-,14-,17-/m1/s1 |
| InChIKey | KOCIMZNSNPOGOP-IWCJZZDYSA-N |
| SMILES | CCCCC#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NC |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
