(1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-methanone | 182141-68-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-methanone
• 英文别名: (1-Cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfanylphenyl]methanone
• CAS: 182141-68-0
• 化学式: C₂₅H₃₁NO₂S
• 分子量: 409.593
• InChiKey: XPEIDVVBDIOEQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-methanone 在 sodium perborate 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-vinyl}-piperidine
  参考文献：
  名称：

  Diphenylsulfone muscarinic antagonists: piperidine derivatives with high m2 selectivity and improved potency

  摘要：

  Piperidine analogues of our previously described piperazine muscarinic antagonists are described. Piperidine analogues show a distinct structure-activity relationship (SAR) that differs from comparable piperazines. Compounds with high selectivity and improved potency for the M-2 receptor have been identified. The lead compound, 12b, increases acetylcholine release in vivo. Compounds of this class may be useful for the treatment of cognitive disorders such as Alzheimer's disease (AD). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00437-6
• 作为产物：
  描述：

  4-(4-氟苯甲酰基)哌啶 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 生成 (1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-methanone
  参考文献：
  名称：

  Diphenylsulfone muscarinic antagonists: piperidine derivatives with high m2 selectivity and improved potency

  摘要：

  Piperidine analogues of our previously described piperazine muscarinic antagonists are described. Piperidine analogues show a distinct structure-activity relationship (SAR) that differs from comparable piperazines. Compounds with high selectivity and improved potency for the M-2 receptor have been identified. The lead compound, 12b, increases acetylcholine release in vivo. Compounds of this class may be useful for the treatment of cognitive disorders such as Alzheimer's disease (AD). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00437-6

文献信息

• Diphenylsulfone muscarinic antagonists: piperidine derivatives with high m2 selectivity and improved potency
  作者：William Billard、Herbert Binch、Kristen Bratzler、Lian-Yong Chen、Gordon Crosby、Ruth A Duffy、Sundeep Dugar、Jean Lachowicz、Robert McQuade、Pradeep Pushpavanam、Vilma B Ruperto、Lisa A Taylor、John W Clader

  DOI：10.1016/s0960-894x(00)00437-6

  日期：2000.10

  Piperidine analogues of our previously described piperazine muscarinic antagonists are described. Piperidine analogues show a distinct structure-activity relationship (SAR) that differs from comparable piperazines. Compounds with high selectivity and improved potency for the M-2 receptor have been identified. The lead compound, 12b, increases acetylcholine release in vivo. Compounds of this class may be useful for the treatment of cognitive disorders such as Alzheimer's disease (AD). (C) 2000 Elsevier Science Ltd. All rights reserved.