4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylamino]-ethyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylamino]-ethyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
• 英文别名: Dimethyl 4-[3-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 化学式: C₃₂H₄₁N₅O₆
• 分子量: 591.707
• InChiKey: ALBZKPHOUDEYFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,4-dihydro-4-(3-aminophenyl)-2,6-dimethyl-3,5-pyridinedicarboxylic acid,dimethyl ester 在 吡啶 、 sodium cyanoborohydride 、 zinc(II) chloride 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 0.33h， 生成 4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylamino]-ethyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Isosteric N-arylpiperazine replacements in a series of dihydropyridine NPY1 receptor antagonists

  摘要：

  4-Amino-N-arylpiperidines serve as effective bioisosteres for N-arylpiperazines in the series of dihydropyridine NPY1 receptor antagonists. These were prepared by a ZnCl2-mediated reductive amination reaction between elaborated primary amines, 2 or 5, and 4-arylpiperidones. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.005

文献信息

• Isosteric N-arylpiperazine replacements in a series of dihydropyridine NPY1 receptor antagonists
  作者：Guanglin Luo、Gail K. Mattson、Marc A. Bruce、Henry Wong、Brian J. Murphy、Daniel Longhi、Ildiko Antal-Zimanyi、Graham S. Poindexter

  DOI：10.1016/j.bmcl.2004.10.005

  日期：2004.12

  4-Amino-N-arylpiperidines serve as effective bioisosteres for N-arylpiperazines in the series of dihydropyridine NPY1 receptor antagonists. These were prepared by a ZnCl2-mediated reductive amination reaction between elaborated primary amines, 2 or 5, and 4-arylpiperidones. (C) 2004 Elsevier Ltd. All rights reserved.