4-(diphenylmethyl)-1-methylpiperidine | 5704-22-3

• 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: 4-(diphenylmethyl)-1-methylpiperidine
• 英文别名: 4-benzhydryl-1-methyl-piperidine；4-Benzhydryl-1-methyl-piperidin；4-benzhydryl-1-methylpiperidine
• CAS: 5704-22-3
• 化学式: C₁₉H₂₃N
• 分子量: 265.398
• InChiKey: BCFHCARKOSGKLG-UHFFFAOYSA-N

物化性质

• 熔点：
  87.5-88.5 °C
• 沸点：
  186-190 °C(Press: 6 Torr)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(diphenylmethyl)-1-methylpiperidine 、 碘甲烷 生成 4-benzhydryl-1,1-dimethyl-piperidinium; iodide
  参考文献：
  名称：

  Substituted piperidines

  摘要：

  公开号：

  US02739968A1
• 作为产物：
  描述：

  4-氯吡啶 在 1,4-二氧六环 、 sodium amide 、 乙酸乙酯 作用下， 生成 4-(diphenylmethyl)-1-methylpiperidine
  参考文献：
  名称：

  ÜberAlkylenimin-Derivate。II米特隆。哌啶衍生物麻省理工学院Wirkung I

  摘要：

  已经制备并在药理学上测试了一系列在2-位取代的新哌啶衍生物。这些化合物大多数具有中心刺激作用，尤其是2-二苯基甲基-哌啶盐酸盐。

  DOI：

  10.1002/hlca.19540370725

文献信息

• Treatment of CNS disorders using CNS target modulators
  申请人：Edgar M. Dale

  公开号：US20050080265A1

  公开（公告）日：2005-04-14

  The invention is directed to compositions and methods useful for treating Central Nervous System (CNS) disorders. Furthermore, the invention provides compositions and methods of treating sleep disorders. More specifically, the invention is directed to the compositions and use of derivatized, histamine antagonists for the treatment of sleep disorders.

  这项发明涉及用于治疗中枢神经系统（CNS）疾病的组合物和方法。此外，该发明提供了治疗睡眠障碍的组合物和方法。更具体地说，该发明涉及衍生的组合物和组胺拮抗剂的使用，用于治疗睡眠障碍。
• Ketanserin Analogs: The Effect of Structural Modification on 5-HT2 Serotonin Receptor Binding
  作者：Abd M. Ismaiel、Kim Arruda、Milt Teitler、Richard A. Glennon

  DOI：10.1021/jm00007a016

  日期：1995.3

  with little effect on 5-HT2A affinity. The present investigation explores several inconsistencies identified in the earlier study and suggests that multiple modes of binding may be possible for ketanserin analogues. Perhaps the nature of the benzylic substituent is the most significant determinant of the manner in which these agents bind at 5-HT2A receptors, and it is possible that certain orientations

  Ketanserin（1）是一种选择性较高的5-HT2拮抗剂，可同时结合5-HT2A和5-HT2C受体。先前的结构亲和关系研究表明，含哌啶的酮色林分子的结构可能被严重缩写，而对5-HT2A亲和力的影响很小。本研究探索了在较早的研究中发现的一些不一致之处，并暗示对于酮色林类似物可能有多种结合方式。苄基取代基的性质也许是这些试剂在5-HT2A受体上结合的方式的最重要决定因素，并且某些方向可能利用了其自身的辅助结合位点。取决于哌啶N-烷基链的长度，苄基取代基从羰基到醇的变化，亚甲基的亚甲基对结合具有非平行的影响，并且第二环氮原子的存在可能进一步影响该结合。本研究的结果提供了证据，尽管可以简略地缩酮酮的结构，甚至可以通过将哌啶环转化为哌嗪而对其进行修饰，但是所得类似物可以在受体上以一种以上的方向结合。在将这些化合物锚定或定向到5-HT2A受体上可能起重要作用的关键结构特征是苄基羰基。甚至通过将哌啶
• Treatment of cns disorders using cns target modulators
  申请人：Edgar Dale

  公开号：US20050009730A1

  公开（公告）日：2005-01-13

  The invention is directed to compositions used for treating Central Nervous System (CNS) disorders. In addition, the invention provides convenient methods of treatment of a CNS disorder. Furthermore, the invention provides methods of treating sleep disorders using compositions that remain active for a discrete period of time to reduce side effects. More specifically, the invention is directed to the compositions and use of derivatized, e.g., ester or carboxylic acid derivatized, antihistamine antagonists for the treatment of sleep disorders.

  本发明涉及用于治疗中枢神经系统（CNS）疾病的组合物。此外，本发明提供了治疗CNS疾病的便捷方法。此外，本发明提供了使用在一定时间内仍然活性以减少副作用的组合物治疗睡眠障碍的方法。更具体地说，本发明涉及使用衍生物（例如，酯或羧酸衍生物）的抗组胺拮抗剂的组合物和用于治疗睡眠障碍的方法。
• CNS target modulators
  申请人：Hypnion, Inc.

  公开号：US20040142972A1

  公开（公告）日：2004-07-22

  The invention is directed to compositions used for treating Central Nervous System (CNS) disorders. In addition, the invention provides convenient methods of treatment of a CNS disorder. Furthermore, the invention provides methods of treating sleep disorders using compositions that remain active for a discrete period of time to reduce side effects. More specifically, the invention is directed to the compositions and use of derivatized, e.g., ester or carboxylic acid derivatized, antihistamine antagonists for the treatment of sleep disorders.

  本发明涉及用于治疗中枢神经系统（CNS）疾病的组合物。此外，本发明提供了治疗CNS疾病的便捷方法。此外，本发明提供了使用在一定时间内仍然保持活性的组合物治疗睡眠障碍的方法，以减少副作用。更具体地说，本发明涉及使用衍生物（例如，酯或羧酸衍生物）的抗组胺拮抗剂的组合物和用于治疗睡眠障碍的用途。
• <i>In vivo</i>biotransformation of fenoctimine in rat, dog and man
  作者：W.-N. Wu、J. F. Hills、S. Y. Chang

  DOI：10.3109/00498259409038672

  日期：1994.1

  1. The metabolism of fenoctimine (Fn) was studied in rat, dog and man following administration of C-14-Fn sulphate.2. Seventeen Fn metabolites were isolated by hplc and tie from rat bile, dog bile, dog urine, human urine, human faecal extracts, and human plasma and identified using nmr and MS.3. The identified metabolites accounted for 75% of total radioactivity in rat bile, 80% in dog bile, and 40% in dog urine samples. In man, 90% of the urinary, 70% of the faecal, and > 50% of the plasma total radioactivity were identified.4. Three major pathways for Fn metabolism were proposed. These pathways involved imino-bond cleavage, aromatic hydroxylation and oxidation of the aliphatic chain.5. The imino-bond cleavage pathway was dominant in all species. However, the other two pathways differed in quantitative importance among the species studied.6. The aromatic hydroxylation pathway appeared to be the most important means of biotransformation of Fn in dog since all but two of the metabolites were formed by this route.7. The aliphatic oxidation pathway appeared to be important to the biotransformation of Fn in man and produced three major metabolites.