methyl 4-(N-parafluorobenzylimine)aniline formate

• 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: methyl 4-(N-parafluorobenzylimine)aniline formate
• 英文别名: methyl N-(4-{[(4-fluorophenyl)methyl]amino}phenyl)carbamate；methyl N-[4-[(4-fluorophenyl)methylamino]phenyl]carbamate
• 化学式: C₁₅H₁₅FN₂O₂
• 分子量: 274.295
• InChiKey: VBHRJROGIPSYJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  prop-2-yn-1-yl-1,1-deutero-4-methylbenzenesulfonate 、 methyl 4-(N-parafluorobenzylimine)aniline formate 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以92%的产率得到methyl 4-(N-parafluorobenzyl-N-3,3-dideuteriumpropargylamino)phenylaminothioformate
  参考文献：
  名称：

  NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF

  摘要：

  公开号：

  EP3138833B1
• 作为产物：
  描述：

  特定基氨基甲酸脂酶 在 甲醇 、 sodium tetrahydroborate 、 对甲苯磺酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 甲苯 为溶剂， 反应 14.0h， 生成 methyl 4-(N-parafluorobenzylimine)aniline formate
  参考文献：
  名称：

  NOVEL COMPOUND AS KCNQ POTASSIUM CHANNEL AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF

  摘要：

  本发明提供了具有一般式I表示的结构的化合物，其药学上可接受的盐，制备方法以及在制备治疗神经系统疾病药物中的用途。该化合物或其药物组成物可用作治疗神经系统疾病的KCNQ钾通道激动剂。与现有技术中的一种化合物雷替加宾相比，本发明的化合物具有相同或更好的治疗效果，更容易合成和储存，且不易氧化恶化。

  公开号：

  US20140336252A1

文献信息

• KCNQ potassium channel agonist, and preparation method therefor and use thereof
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US10316008B2

  公开（公告）日：2019-06-11

  The present invention provides a compound represented by general formula I or a pharmaceutical acceptable salt thereof, the preparation method therefor and the use thereof in preparing a medicine for treating a neurological disease, such as epilepsy, convulsion, neuropathic pain, acute ischemic stroke, and a neurodegenerative disease. The compound according to present invention has a better absorption in brain tissue when compared with RTG. In addition, the compound provided by present invention has not only a greatly enhanced efficacy, but also a neurotoxicity greatly lower than that of RTG, and thus possesses a wider safety window.

  本发明提供了通式 I 所代表的化合物或其药物可接受盐、其制备方法以及其在制备治疗神经疾病（如癫痫、抽搐、神经性疼痛、急性缺血性中风和神经退行性疾病）的药物中的用途。与 RTG 相比，本发明的化合物在脑组织中的吸收效果更好。此外，本发明提供的化合物不仅药效大大提高，而且神经毒性大大低于 RTG，因此具有更宽的安全窗口。
• NOVEL KCNQ POTASSIUM CHANNEL AGONISTS, METHOD OF PREPARATION AND METHOD OF USE THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20170081301A1

  公开（公告）日：2017-03-23

  The present invention provides a compound represented by general formula I or a pharmaceutical acceptable salt thereof, the preparation method therefor and the use thereof in preparing a medicine for treating a neurological disease, such as epilepsy, convulsion, neuropathic pain, acute ischemic stroke, and a neurodegenerative disease. The compound according to present invention has a better absorption in brain tissue when compared with RTG. In addition, the compound provided by present invention has not only a greatly enhanced efficacy, but also a neurotoxicity greatly lower than that of RTG, and thus possesses a wider safety window.
• US9353048B2
  申请人：——

  公开号：US9353048B2

  公开（公告）日：2016-05-31
• NOVEL COMPOUND AS KCNQ POTASSIUM CHANNEL AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20140336252A1

  公开（公告）日：2014-11-13

  The present invention provides compounds having the structure represented by general formula I, pharmaceutically acceptable salts thereofagonist, preparation methods therefor and a use thereof in the preparation of a medicine for the treatment of nervous system diseases. The compounds or pharmaceutical compositions thereof can be used as the KCNQ potassium channel agonist for treating nervous system diseases. Compared to retigabine, a compound in the prior art, the compound of the present invention have the same or better therapeutic effect, are easier for synthesis and storage, and less prone to oxidate deterioration.

  本发明提供了具有一般式I表示的结构的化合物，其药学上可接受的盐，制备方法以及在制备治疗神经系统疾病药物中的用途。该化合物或其药物组成物可用作治疗神经系统疾病的KCNQ钾通道激动剂。与现有技术中的一种化合物雷替加宾相比，本发明的化合物具有相同或更好的治疗效果，更容易合成和储存，且不易氧化恶化。
• NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP3138833B1

  公开（公告）日：2021-11-03