Macchia B, Balsamo A, Lapucci A, Martinelli A, Macchia F, Breschi M C, Fantoni B, Martinotti E
J Med Chem. 1985 Feb;28(2):153-60. doi: 10.1021/jm00380a001.
On the basis of results previously obtained from structural and theoretical studies on beta-adrenergic drugs, a series of aliphatic oxime ether derivatives (AOEDs) was synthesized. As expected, pharmacological in vitro tests showed that compounds examined exhibit a marked and competitive antagonism at beta-adrenoceptors; the beta 2/beta 1 selectivity ratio indicated that they are more active on the tracheal than on the cardiac beta-receptor. The chemical reactivity of the AOEDs was studied through the calculation of the electrostatic molecular potential (EMP) on a model compound in its preferred conformation. The results showed that the EMP trend agrees with that previously calculated for other beta-blocking drugs.
基于先前对β-肾上腺素能药物进行的结构和理论研究结果，合成了一系列脂肪族肟醚衍生物（AOEDs）。正如预期的那样，体外药理学试验表明，所检测的化合物在β-肾上腺素受体上表现出显著的竞争性拮抗作用；β2/β1选择性比率表明，它们对气管β受体的活性比对心脏β受体的活性更高。通过计算处于优选构象的模型化合物上的静电分子势（EMP），研究了AOEDs的化学反应性。结果表明，EMP趋势与先前为其他β受体阻滞剂计算的结果一致。
