(4-chlorophenyl)(1-methylpiperidin-4-yl)methanone | 500361-49-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-chlorophenyl)(1-methylpiperidin-4-yl)methanone
• 英文别名: (4-chloro-phenyl)-(1-methyl-[4]piperidyl)-ketone；(4-Chlor-phenyl)-(1-methyl-[4]piperidyl)-keton；4-[p-Chlorobenzoyl]-1-methylpiperidine；(4-chlorophenyl)-(1-methylpiperidin-4-yl)methanone
• CAS: 500361-49-9
• 化学式: C₁₃H₁₆ClNO
• 分子量: 237.729
• InChiKey: PADAQXSTUYWENK-UHFFFAOYSA-N

物化性质

• 沸点：
  345.7±32.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-chlorophenyl)(1-methylpiperidin-4-yl)methanone 在 2-吡啶基锂 、 乙醚 作用下， 生成 (4-chloro-phenyl)-(1-methyl-[4]piperidyl)-[2]pyridyl-methanol
  参考文献：
  名称：

  Substituted piperidines

  摘要：

  公开号：

  US02739968A1
• 作为产物：
  描述：

  N-甲基-4-哌啶酮 在 caesium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 (4-chlorophenyl)(1-methylpiperidin-4-yl)methanone
  参考文献：
  名称：

  曼氏血吸虫组蛋白去乙酰化酶8（SmHDAC8）抑制剂作为多阶段抗血吸虫病药物的筛选和表型表征。

  摘要：

  血吸虫病（也称为bilharzia）是一种由血吸虫属的蠕虫引起的被忽视的热带病。该病是世界热带和亚热带地区的地方病，那里的中间寄生虫宿主蜗牛感染了水。超过8亿人生活在流行地区，超过2亿人被感染并需要治疗。吡喹酮（PZQ）是血吸虫病治疗和传播控制的首选药物，对所有临床相关血吸虫物种的成虫均安全且非常有效。不幸的是，它对未成熟的幼虫无效。因此，它不能防止再次感染。此外，由于在如此庞大的人口中广泛使用单一药物，导致产生和传播耐药性的风险构成了严重威胁。所以，需要开展旨在鉴定单独使用或与PZQ结合使用的新药的研究。曼氏血吸虫组蛋白脱乙酰基酶8（SmHDAC8）是I类依赖锌的HDAC，在其生命周期的所有阶段均大量表达，因此代表了有趣的药物发现靶标。通过虚拟筛选和选定命中的表型表征，我们发现了两种主要化学类别的化合物，其特征在于存在与螺螺二氢吲哚或三环噻吩并[3,2-b]吲哚核偶联的基于异羟肟酸酯的金

  DOI：

  10.1021/acsinfecdis.9b00224

文献信息

• Urea derivatives as calcium channel blockers
  申请人：Pajouhesh Hassan

  公开号：US20060063775A1

  公开（公告）日：2006-03-23

  Urea derivatives which comprise piperidine or piperazine rings and further substitution are effective in ameliorating conditions characterized by unwanted calcium ion channel activity.

  含有哌啶或哌嗪环及其进一步取代的尿素衍生物，在改善由不良钙离子通道活性所表征的状况方面效果显著。
• UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS
  申请人：Pajouhesh Hassan

  公开号：US20080207633A1

  公开（公告）日：2008-08-28

  Urea derivatives which comprise piperidine or piperazine rings and further substitution are effective in ameliorating conditions characterized by unwanted calcium ion channel activity.

  含有哌啶或哌嗪环且进一步置换的尿素衍生物对于改善由于不必要的钙离子通道活性所表现出的情况是有效的。
• Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands
  申请人：Hendrix James A.

  公开号：US20090247509A1

  公开（公告）日：2009-10-01

  The invention relates to heterocyclic substituted carbonyl derivatives that display selective binding to dopamine D 3 receptors. In another aspect, the invention relates to a method for treating central nervous system disorders associated with the dopamine D 3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D 3 receptors.

  本发明涉及杂环取代羰基衍生物，其表现出对多巴胺D3受体的选择性结合。另一方面，本发明涉及一种治疗与多巴胺D3受体活性相关的中枢神经系统疾病的方法，该方法包括向需要此类治疗的患者施用所述化合物的治疗有效量，以缓解此类疾病。这些化合物可以治疗的中枢神经系统疾病包括精神疾病、物质依赖、物质滥用、运动障碍（例如帕金森病、帕金森综合症、神经阻滞引起的迟发性运动障碍、吉尔斯-德-拉-图雷综合症和亨廷顿病）、痴呆、焦虑症、睡眠障碍、昼夜节律紊乱和情绪障碍。本发明还涉及制备所述化合物的方法以及将所述化合物作为多巴胺D3受体成像剂的制备和使用方法。
• Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands
  申请人：Hendrix A. James

  公开号：US20070161641A1

  公开（公告）日：2007-07-12

  The invention relates to heterocyclic substituted carbonyl derivatives that display selective binding to dopamine D 3 receptors. In another aspect, the invention relates is to a method for treating central nervous system disorders associated with the dopamine D 3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D 3 receptors.

  本发明涉及杂环取代羰基衍生物，其具有选择性地与多巴胺D3受体结合。另一方面，本发明涉及一种治疗中枢神经系统疾病的方法，该疾病与多巴胺D3受体活性有关，包括对患者进行治疗，向患者施用所述化合物的治疗有效量，以缓解此类疾病。这些化合物可以治疗的中枢神经系统疾病包括精神病性障碍、物质依赖、物质滥用、运动障碍（例如帕金森病、帕金森综合症、神经阻滞剂引起的迟发性运动障碍、吉尔·德·拉·图雷特综合症和亨廷顿病）、痴呆、焦虑症、睡眠障碍、昼夜节律紊乱和情绪障碍。本发明还涉及所述化合物的制备过程，以及将所述化合物作为多巴胺D3受体成像剂的制备和使用方法。
• Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1935887A1

  公开（公告）日：2008-06-25

  The invention relates to heterocyclic substituted carbonyl derivatives of the formula I that display selective binding to dopamine D3 receptors and are useful for treating central nervous system disorders associated with the dopamine D3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D3 receptors.

  本发明涉及式 I 的杂环取代的羰基衍生物 本发明涉及式 I 的杂环取代羰基衍生物，该衍生物与多巴胺 D3 受体具有选择性结合，可用于治疗需要此类治疗的患者中与多巴胺 D3 受体活性相关的中枢神经系统紊乱，包括向受试者施用治疗有效量的所述化合物以缓解此类紊乱。可用这些化合物治疗的中枢神经系统疾病包括精神障碍、药物依赖、药物滥用、运动障碍（如帕金森病、帕金森氏症、神经抑制剂诱发的迟发性运动障碍、吉勒-德拉图雷特综合征和亨廷顿氏病）、痴呆、焦虑症、睡眠障碍、昼夜节律紊乱和情绪障碍。本发明还涉及本文所述化合物的制备过程以及将这些化合物用作多巴胺 D3 受体成像剂的制备和使用方法。