ethyl [4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]acetate | 401518-16-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl [4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]acetate
• 英文别名: 2-(4-(3-ethoxy-4-methoxyphenyl)-4-cyanopiperidin-1-yl)acetic acid ethyl ester；Ethyl 2-[4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]acetate
• CAS: 401518-16-9
• 化学式: C₁₉H₂₆N₂O₄
• 分子量: 346.426
• InChiKey: ITOUEWZOMKIRQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  71.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl [4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]acetate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-(4-(3-ethoxy-4-methoxyphenyl)-4-cyanopiperidin-1-yl)acetic acid
  参考文献：
  名称：

  Highly potent PDE4 inhibitors with therapeutic potential

  摘要：

  Based on the hypothesis that the dose-limiting side effects of PDE4 inhibitors could be mediated via the central nervous system (CNS), design and synthesis of a hydrophilic analogue is considered to be one approach to improving the side-effect profile of Ariflo(TM) 1. Water-soluble piperidine derivatives were found to possess therapeutic potential. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.087
• 作为产物：
  描述：

  3-乙氧基-4-甲氧基苯乙腈 在 茴香硫醚 、 potassium carbonate 、 三氟乙酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl [4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]acetate
  参考文献：
  名称：

  Highly potent PDE4 inhibitors with therapeutic potential

  摘要：

  Based on the hypothesis that the dose-limiting side effects of PDE4 inhibitors could be mediated via the central nervous system (CNS), design and synthesis of a hydrophilic analogue is considered to be one approach to improving the side-effect profile of Ariflo(TM) 1. Water-soluble piperidine derivatives were found to possess therapeutic potential. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.087

文献信息

• PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1308440B1

  公开（公告）日：2009-05-06
• US7649095B2
  申请人：——

  公开号：US7649095B2

  公开（公告）日：2010-01-19