1-(Isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine

• 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: 1-(Isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine
• 英文别名: 4-[1-[4-(4-methoxyphenyl)sulfonylphenyl]ethenyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidine
• 化学式: C₂₈H₃₈N₂O₅S₂
• 分子量: 546.752
• InChiKey: INAWHDCHKDVXJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-[4-(4-Methoxy-phenylsulfanyl)-benzoyl]-piperidine-1-carboxylic acid tert-butyl ester 在 sodium perborate 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 1-(Isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine
  参考文献：
  名称：

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

  摘要：

  Identification of a number of highly potent M-2 receptor antagonists with >100-fold selectivity against the M-1 and M-3 receptor subtypes is described. In the rat microdialysis assay, this series of compounds showed pronounced enhancement of brain acetylcholine release after oral administration. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00457-1

文献信息

• Design and synthesis of piperidinyl piperidine analogues as potent and selective M2 muscarinic receptor antagonists
  作者：Yuguang Wang、Samuel Chackalamannil、Zhiyong Hu、John W Clader、William Greenlee、William Billard、Herbert Binch、Gordon Crosby、Vilma Ruperto、Ruth A Duffy、Robert McQuade、Jean E Lachowicz

  DOI：10.1016/s0960-894x(00)00457-1

  日期：2000.10

  Identification of a number of highly potent M-2 receptor antagonists with >100-fold selectivity against the M-1 and M-3 receptor subtypes is described. In the rat microdialysis assay, this series of compounds showed pronounced enhancement of brain acetylcholine release after oral administration. (C) 2000 Elsevier Science Ltd. All rights reserved.