1-Cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethyl]piperazine | 182135-90-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-Cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethyl]piperazine
• CAS: 182135-90-6
• 化学式: C₂₅H₃₄N₂OS
• 分子量: 410.624
• InChiKey: UKJOVEWNKLBROD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  41
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethyl]piperazine 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-piperazine
  参考文献：
  名称：

  Substituted 2-(R)-Methyl piperazines as muscarinic M2 selective ligands

  摘要：

  A novel series of 2-(R)-methyl-substituted piperazines (e.g.. 2) is described. They are potent M-2 selective ligands that have > 100-fold selectivity versus the M-1 receptor. In the rat microdialysis assay. compound 14 showed significantly enhanced levels of acetylcholine after oral administration. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00023-9
• 作为产物：
  描述：

  对氟苯甲醛 在 titanium(IV) isopropylate 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1-Cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethyl]piperazine
  参考文献：
  名称：

  Substituted 2-(R)-Methyl piperazines as muscarinic M2 selective ligands

  摘要：

  A novel series of 2-(R)-methyl-substituted piperazines (e.g.. 2) is described. They are potent M-2 selective ligands that have > 100-fold selectivity versus the M-1 receptor. In the rat microdialysis assay. compound 14 showed significantly enhanced levels of acetylcholine after oral administration. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00023-9

文献信息

• Substituted 2-(R)-Methyl piperazines as muscarinic M2 selective ligands
  作者：Joseph A Kozlowski、Guowei Zhou、Jayaram R Tagat、Sue-Ing Lin、Stuart W McCombie、Vilma B Ruperto、Ruth A Duffy、Robert A McQuade、Gordon Crosby、Lisa A Taylor、William Billard、Herbert Binch、Jean E Lachowicz

  DOI：10.1016/s0960-894x(02)00023-9

  日期：2002.3

  A novel series of 2-(R)-methyl-substituted piperazines (e.g.. 2) is described. They are potent M-2 selective ligands that have > 100-fold selectivity versus the M-1 receptor. In the rat microdialysis assay. compound 14 showed significantly enhanced levels of acetylcholine after oral administration. (C) 2002 Elsevier Science Ltd. All rights reserved.