2,6-Diethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-amide 5-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-Diethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-amide 5-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}
• 英文别名: 5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2,6-diethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
• 化学式: C₃₇H₄₃N₅O₄
• 分子量: 621.78
• InChiKey: JEZMYAZTGNMODX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对硝基苯甲醛 、 (E)-3-amino-pent-2-enoic acid amide 、 3-Oxo-pentanoic acid [3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide 以 异丙醇 为溶剂， 以5%的产率得到2,6-Diethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-amide 5-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}
  参考文献：
  名称：

  Identification of a Dihydropyridine as a Potent α_1a Adrenoceptor-Selective Antagonist That Inhibits Phenylephrine-Induced Contraction of the Human Prostate

  摘要：

  A number of novel dihydropyridine derivatives based upon 1,4-dihydro-3-(methoxycarbonyl)-2,6-dimethyl-4-(4-nitrophenyl)-5-((3-(4, diphenylpiperdin-1-yl)propyl)aminocarbonyl)pyridine (4) have been synthesized and tested at cloned human a adrenoceptors as well as the rat L-type calcium channel. Within this compound series, 5-(aminocarbonyl)-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)- 3-((3-(4,4-diphenylpiperidin-1-yl)propyl)aminocarbonyl)pyridine (19) displayed good binding affinity and selectivity for the alpha(1a) adrenoceptor (pK(i) = 8.73) and potently inhibited (pA(2) = 9.23) phenylephrine-induced contraction of the human prostate.

  DOI：

  10.1021/jm980077m