N-[(4-Aminophenyl)methyl]adenosine

• CAT Number: I005657
• CAS Number: 95523-13-0
• Molecular Formula: C17H20N6O4
• Molecular Weight: 372.38
• Purity: ≥95%
• Synonyms: (2R,3R,4S,5R)-2-[6-[(4-aminophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• InChI: InChI=1S/C17H20N6O4/c18-10-3-1-9(2-4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6,18H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
• InChIKey: PMUVNAUPWLXPSA-LSCFUAHRSA-N
• SMILES: C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N

N-[(4-Aminophenyl)methyl]adenosine is a adenosine receptor inhibitor, with Ki of 29 nM for Rat ecto-5′-Nucleotidase.
IC50 value: 29.0 ± 1.7 nM (Ki)
Target: Adenosine Receptor

Reference

[1]. Bhattarai S, et al. α,β-Methylene-ADP (AOPCP) Derivatives and Analogues: Development of Potent and Selective ecto-5′-Nucleotidase (CD73) Inhibitors. J Med Chem. 2015 Aug 13;58(15):6248-63.
 [Content Brief]

[2]. 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):1390-400.
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[3]. Zhu Z, et al. Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity. Bioorg Med Chem. 2008 Apr 1;16(7):3848-65.
 [Content Brief]