5-溴喹啉-3-羧酸乙酯 | 1383551-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 5-溴喹啉-3-羧酸乙酯
• 英文名称: ethyl 5-bromoquinoline-3-carboxylate
• 英文别名: Ethyl 5-bromoquinoline-3-carboxylate
• CAS: 1383551-36-7
• 化学式: C₁₂H₁₀BrNO₂
• 分子量: 280.121
• InChiKey: IQYDMSOHOYEMJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-溴喹啉-3-羧酸乙酯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 lithium aluminium tetrahydride 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  Discovery of PIPE-359, a Brain-Penetrant, Selective M₁ Receptor Antagonist with Robust Efficacy in Murine MOG-EAE

  摘要：

  DOI：

  10.1021/acsmedchemlett.0c00626

文献信息

• NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE
  申请人：Kinoyama Isao

  公开号：US20120142727A1

  公开（公告）日：2012-06-07

  [Object] An excellent agent for preventing or treating dementia, schizophrenia, and the like, based on serotonin 5-HT 5A receptor modulating action, is provided. [Means for Solution] It was confirmed that acylguanidine derivatives (the following formula I; any one of Z 1 , Z 2 , Z 3 , Z 4 and Z 5 is nitrogen atom, and the others are carbon atoms) which have the characteristic structure in which the guanidine is bonded to one ring of the quinoline or isoquinoline via a carbonyl group, and a cyclic group is bonded to the other ring, exhibit potent 5-HT 5A receptor modulating actions and excellent pharmacological actions based on the 5-HT 5A receptor modulating action, and thus can be excellent agents for preventing or treating dementia, schizophrenia, bipolar disorder, or attention deficit hyperactivity disorder. Thus, the present invention has been completed.

  提供一个基于调节5-HT5A受体的作用，用于预防或治疗痴呆、精神分裂症等的优秀药剂。[解决方案]确认了酰脒衍生物（以下公式I；Z1、Z2、Z3、Z4和Z5中的任何一个为氮原子，其余为碳原子）具有特征性结构，其中脒基通过羰基与喹啉或异喹啉的一个环连接，并且另一个环连接有环状基团，展现出强大的5-HT5A受体调节作用和基于5-HT5A受体调节作用的优秀药理作用，因此可作为预防或治疗痴呆、精神分裂症、双相情感障碍或注意力缺陷多动障碍的优秀药剂。因此，完成了本发明。
• Nitrogenous-ring acylguanidine derivative
  申请人：Kinoyama Isao

  公开号：US08853242B2

  公开（公告）日：2014-10-07

  [Object] An excellent agent for preventing or treating dementia, schizophrenia, and the like, based on serotonin 5-HT5A receptor modulating action, is provided. [Means for Solution] It was confirmed that acylguanidine derivatives (the following formula I; any one of Z1, Z2, Z3, Z4 and Z5 is nitrogen atom, and the others are carbon atoms) which have the characteristic structure in which the guanidine is bonded to one ring of the quinoline or isoquinoline via a carbonyl group, and a cyclic group is bonded to the other ring, exhibit potent 5-HT5A receptor modulating actions and excellent pharmacological actions based on the 5-HT5A receptor modulating action, and thus can be excellent agents for preventing or treating dementia, schizophrenia, bipolar disorder, or attention deficit hyperactivity disorder. Thus, the present invention has been completed.

  [目的] 提供一种基于血清素5-HT5A受体调节作用的出色的防治痴呆症、精神分裂症等的制剂。 [解决方案] 确认了酰基胍衍生物（以下式I；其中Z1、Z2、Z3、Z4和Z5中的任意一个是氮原子，其余为碳原子），其具有胍基通过羰基与喹啉或异喹啉的一个环结合，另一个环结合有环状基团的特征结构，表现出强效的5-HT5A受体调节作用和基于5-HT5A受体调节作用的出色的药理作用，因此可以成为防治痴呆症、精神分裂症、躁郁症或注意力缺陷多动障碍的出色制剂。因此，本发明已经完成。
• US8853242B2
  申请人：——

  公开号：US8853242B2

  公开（公告）日：2014-10-07
• Discovery of PIPE-359, a Brain-Penetrant, Selective M₁ Receptor Antagonist with Robust Efficacy in Murine MOG-EAE
  作者：Thomas O. Schrader、Yifeng Xiong、Ariana O. Lorenzana、Alexander Broadhead、Karin J. Stebbins、Michael M. Poon、Christopher Baccei、Daniel S. Lorrain

  DOI：10.1021/acsmedchemlett.0c00626

  日期：2021.1.14