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28544446926
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note
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4-Amino-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5- carboxylic acid ethyl ester derivatives as reported in ref 16 (1a-If) and 1-(2-chloro-2-phenylethyl)-6-methylthio-1H-pyrazolo [3,4-d]pyrimidines-4-amino substituted as reported in ref 18 (77-80).
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22
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28544433846
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note
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1,8-Naphthyridine as reported in ref 30 (15-44); 1,2,4-triazolo-[4,3-a] quinoxalin-1-ones as reported in ref 31 (45-60); 3-aryl-[1,2,4] triazino[4,3-a]benzimidazol-4(10H)-ones as reported in ref 19 (61-76).
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23
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i > 10 μM couldbe reported, similarly to that described for compounds 37 and 38 (ref 30). However, both cases describe inactive compounds. As a consequence, on the basis of the fact that also inactive compounds could be a source of important structural information for qualitative and quantitative structure-activity relashionship analysis, we (i. Corelli, F.; Manetti, F.; Tafi, A.; Campiani, G.; Nacci, V.; Botta, M. Diltiazem-like calcium entry blockers: a hypothesis of the receptor-binding site based on a comparative molecular field analysis model. J. Med. Chem. 1997, 40, 125-131; ii.)
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GRID 21
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8544250087
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33
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28544431819
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note
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i) was estimated to be 9.6, in good agreement with the experimental value of 10.2. Alignment of such a compound in the current pharmacophoric model (Figure 2) shows HY1-3 filled by the propyl chain at positions 1 and 3 and by the cyclopentyl ring, respectively. Moreover, the 6- and 2-carbonyl groups are HBA1 and HBA2, respectively, while HBD is the 1-NH group.
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34
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Study on affinity profile toward native human and bovine adenosine receptors of a series of 1,8-naphthyridine derivatives
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Catarzi, D.; Colotta, V.; Varano, F.; Calabri, F. R.; Lenzi, O.; Filacchioni, G.; Trincavelli, M. L.; Martini, C.; Tralli, A.; Montopoli, C.; Moro, S. 2-Aryl-8-chloro-1,2,4-triazolo[1,5-a]quinoxalin-4-amines as highly potent A1 and A3 adenosine receptor antagonists. Bioorg. Med. Chem. 2005, 13, 705-15.
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