((R)-4-Cyclohexyl-2-methyl-piperazin-1-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-acetonitrile | 221457-95-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: ((R)-4-Cyclohexyl-2-methyl-piperazin-1-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-acetonitrile
• CAS: 221457-95-0
• 化学式: C₂₆H₃₃N₃OS
• 分子量: 435.634
• InChiKey: BGSHRTCBKPQNLG-TUHVGIAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.75
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  39.5
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ((R)-4-Cyclohexyl-2-methyl-piperazin-1-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-acetonitrile 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-[(2R)-4-cyclohexyl-2-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile
  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 ((R)-4-Cyclohexyl-2-methyl-piperazin-1-yl)-[4-(4-methoxy-phenylsulfanyl)-phenyl]-acetonitrile
  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