3-[(1-甲基-2-苯基)乙基氨基]丙腈盐酸盐

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-[(1-甲基-2-苯基)乙基氨基]丙腈盐酸盐
• 英文名称: hydron;3-(1-phenylpropan-2-ylamino)propanenitrile;chloride
• 化学式: C12H17ClN2
• 分子量: 224.73
• InChiKey: ZBRZSJUFJUMKIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.76
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e]indazol-8-yl)ethyl]acetamide 、 3-[(1-甲基-2-苯基)乙基氨基]丙腈盐酸盐 在 乙醇 、 正己烷 作用下， 以 Ethanol hexane 为溶剂， 以to give the title compound (36 mg, 99% ee)的产率得到N-{2-[(8R)-2-methyl-2,6,7,8-tetrahydrocyclopenta[e]indazol-8-yl]ethyl}acetamide
  参考文献：
  名称：

  TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF

  摘要：

  本发明提供一种化合物，其表示为以下式子：其中R1为烃基，可选地具有取代基，氨基，可选地具有取代基的羟基或杂环基，R2为氢原子或烃基，可选地具有取代基，R3为氢原子，卤素原子，可选地具有取代基的烃基，氨基，可选地具有取代基的羟基或可选地具有取代基的巯基，Xa，Xb，Xc和Xd分别为碳原子或氮原子，前提是Xa，Xb，Xc和Xd中的任意一个或两个是氮原子，m为0至2，环A至C分别为可选地具有取代基的环，或其盐，该化合物可用作预防或治疗与褪黑激素作用相关的疾病的药物等。

  公开号：

  US20100010038A1

文献信息

• BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF
  申请人：Koike Tatsuki

  公开号：US20100130538A1

  公开（公告）日：2010-05-27

  The present invention provides a compound represented by the formula wherein R 1 is a hydrocarbon group optionally having substituent(s), amino optionally having substituent(s), hydroxy optionally having a substituent or a heterocyclic group optionally having substituent(s); R 2 is a hydrogen atom or a hydrocarbon group optionally having substituent(s); Xa and Xb are each C, N, O or S; Xc and Xd are each C or N; m is 0-2; n is 1-3; ring A is a 5-membered ring optionally having substituent(s); ring B is a 6-membered ring optionally having substituent(s); and ring C is a 3- to 5-membered ring optionally having substituent(s), provided that when Xa, Xc and Xd are each C, then Xb is N or S, or a salt thereof, which is useful as an agent for the prophylaxis or treatment of a disease relating to an action of melatonin, and the like.

  本发明提供了一种化合物，其表示式为其中R1是一个烃基，可选地具有取代基，氨基，可选地具有取代基的羟基或杂环基；R2是氢原子或烃基，可选地具有取代基；Xa和Xb分别为C，N，O或S；Xc和Xd分别为C或N；m为0-2；n为1-3；环A是一个五元环，可选地具有取代基；环B是一个六元环，可选地具有取代基；环C是一个3-至5元环，可选地具有取代基，前提是当Xa，Xc和Xd均为C时，那么Xb为N或S，或其盐，用作预防或治疗与褪黑素作用相关的疾病的药剂等。
• Bicyclic compound and pharmaceutical use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08110585B2

  公开（公告）日：2012-02-07

  The present invention provides a compound represented by the formula wherein R1 is a hydrocarbon group optionally having substituent(s), amino optionally having substituent(s), hydroxy optionally having a substituent or a heterocyclic group optionally having substituent(s); R2 is a hydrogen atom or a hydrocarbon group optionally having substituent(s); Xa and Xb are each C, N, O or S; Xc and Xd are each C or N; m is 0-2; n is 1-3; ring A is a 5-membered ring optionally having substituent(s); ring B is a 6-membered ring optionally having substituent(s); and ring C is a 3- to 5-membered ring optionally having substituent(s), provided that when Xa, Xc and Xd are each C, then Xb is N or S, or a salt thereof, which is useful as an agent for the prophylaxis or treatment of a disease relating to an action of melatonin, and the like.

  本发明提供了一种化合物，其表示为以下式子： 其中，R1是一个烃基，可选择地具有取代基，氨基，可选择地具有取代基的羟基，或可选择地具有取代基的杂环基；R2是氢原子或可选择地具有取代基的烃基；Xa和Xb分别是C，N，O或S；Xc和Xd分别是C或N；m为0-2；n为1-3；环A是一个可选择地具有取代基的5元环；环B是一个可选择地具有取代基的6元环；环C是一个可选择地具有取代基的3-至5元环，但当Xa，Xc和Xd都为C时，则Xb为N或S，或其盐，其用作一种预防或治疗与褪黑激素作用有关的疾病的药剂等。
• Tricyclic compound and pharmaceutical use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08247429B2

  公开（公告）日：2012-08-21

  The present invention provides a compound represented by the formula wherein R1 is a hydrocarbon group optionally having substituent(s), amino optionally having substituent(s), hydroxy optionally having a substituent or a heterocyclic group optionally having substituent(s), R2 is a hydrogen atom or a hydrocarbon group optionally having substituent(s), R3 is a hydrogen atom, a halogen atom, a hydrocarbon group optionally having substituent(s), amino optionally having substituent(s), hydroxy optionally having a substituent or mercapto optionally having a substituent, Xa, Xb, Xc and Xd are each a carbon atom or a nitrogen atom, provided that any one or two of Xa, Xb, Xc and Xd is/are nitrogen atom(s), m is 0 to 2, and rings A to C are each a ring optionally having substituent(s), or a salt thereof, which is useful as an agent for the prophylaxis or treatment of a disease relating to an action of melatonin, and the like.

  本发明提供一种化合物，其表示为以下式子：其中R1是一个烃基，可选地具有取代基，氨基，可选地具有取代基的羟基或杂环基，可选地具有取代基；R2是氢原子或烃基，可选地具有取代基；R3是氢原子，卤素原子，烃基，可选地具有取代基的氨基，可选地具有取代基的羟基或可选地具有取代基的巯基；Xa、Xb、Xc和Xd分别是碳原子或氮原子，前提是Xa、Xb、Xc和Xd中的任何一个或两个是/是氮原子；m为0至2；环A至C分别是可选地具有取代基的环或其盐，其作为一种预防或治疗与褪黑激素作用有关的疾病的药剂等非常有用。
• Treatment of ADHD
  申请人：Gosforth Centre (Holdings) Pty Ltd

  公开号：EP2505197A1

  公开（公告）日：2012-10-03

  A method is described for treating attention deficit hyperactivity disorder (ADHD), by administering to the individual an anti-epileptic mood stabiliser at a dose which is sub-therapeutic for mood stabilisation, optionally in combination with a psychostimulant. Also described is a method of improving reading comprehension and/or fluency in an individual suffering from learning difficulties which method comprises administering to the individual an anti-epileptic mood stabiliser.

  本文描述了一种治疗注意力缺陷多动障碍（ADHD）的方法，即给患者服用抗癫痫情绪稳定剂，剂量为稳定情绪的次治疗剂量，可选择与精神兴奋剂联合使用。还描述了一种改善学习困难患者阅读理解和/或流畅性的方法，该方法包括给患者服用抗癫痫情绪稳定剂。
• Compositions and methods for treating psychiatric disorders
  申请人：GOSFORTH CENTRE (HOLDINGS) PTY LTD.

  公开号：US10028971B2

  公开（公告）日：2018-07-24

  Methods of treating psychiatric disorders are provided which include administration of one or more anti-epileptic agents and, optionally, one or more a psychostimulants. Also provided are pharmaceutical compositions comprising, in combination, one or more anti-epileptic agents and one or more psychostimulants. Psychiatric disorders include those associated with impaired cognitive processing, degenerative disorders such as Mild Cognitive Impairment, Parkinson's disease, dementia, non-compliance with therapeutic regimes and eating disorders, although without limitation thereto.

  提供了治疗精神障碍的方法，其中包括服用一种或多种抗癫痫剂，以及可选的一种或多种精神兴奋剂。此外，还提供了由一种或多种抗癫痫剂和一种或多种精神兴奋剂组合而成的药物组合物。精神障碍包括与认知处理受损、退化性障碍（如轻度认知障碍）、帕金森病、痴呆症、不遵从治疗方案和饮食失调有关的疾病，但并不限于此。