4-[4-[4-(1,3-Benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]-1-benzylsulfonylpiperidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 4-[4-[4-(1,3-Benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]-1-benzylsulfonylpiperidine
• 化学式: C₃₀H₃₄N₂O₇S₂
• 分子量: 598.741
• InChiKey: KIKDCNDJSCMAAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  Tert-butyl 4-[4-(1,3-benzodioxol-5-ylsulfanyl)phenoxy]piperidine-1-carboxylate 在 甲烷磺酸 、 三乙酰氧基硼氢化钠 、 三乙胺 、 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 3.0h， 生成 4-[4-[4-(1,3-Benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]-1-benzylsulfonylpiperidine
  参考文献：
  名称：

  Design and synthesis of ether analogues as potent and selective M2 muscarinic receptor antagonists

  摘要：

  Novel, selective M-2 muscarinic antagonists, which replace the metabolically labile styrenyl moiety of the prototypical M-2 antagonist 1 with an ether linkage, were synthesized. A detailed SAR study in this class of compounds has yielded highly active compounds that showed M-2 K-i values of < 1.0 nM and > 100-fold selectivity against M-1, M-3, and M-5 receptors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00100-7

文献信息

• Design and synthesis of ether analogues as potent and selective M2 muscarinic receptor antagonists
  作者：Yuguang Wang、Samuel Chackalamannil、Wei Chang、William Greenlee、Vilma Ruperto、Ruth A Duffy、Robert McQuade、Jean E Lachowicz

  DOI：10.1016/s0960-894x(01)00100-7

  日期：2001.4

  Novel, selective M-2 muscarinic antagonists, which replace the metabolically labile styrenyl moiety of the prototypical M-2 antagonist 1 with an ether linkage, were synthesized. A detailed SAR study in this class of compounds has yielded highly active compounds that showed M-2 K-i values of < 1.0 nM and > 100-fold selectivity against M-1, M-3, and M-5 receptors. (C) 2001 Elsevier Science Ltd. All rights reserved.