5-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-pyrazole | 1456905-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-pyrazole
• CAS: 1456905-07-9
• 化学式: C₁₆H₁₃BrN₂O
• 分子量: 329.196
• InChiKey: IBGVBMHDQVFHHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-pyrazole 、 苯乙炔 在 potassium carbonate 、 copper(l) chloride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 24.0h， 以75%的产率得到2-(3-methoxyphenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
  参考文献：
  名称：

  Cu-Catalyzed alkynylation–cyclization cascade for the construction of the pyrazolo[5,1-a]isoquinoline skeleton

  摘要：

  开发了铜催化的 3-(2-溴苯基)吡唑与末端炔烃的 Sonogashira 型偶联以及随后在同一罐中的亲电环化，以得到吡唑并[5,1-a]异喹啉。该转化无需使用钯或配体即可进行，而银添加剂是有益的。

  DOI：

  10.1039/c3ra40270c

文献信息

• PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP3315492B1

  公开（公告）日：2020-09-16
• PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：KISSEI PHARMACEUTICAL CO., LTD.

  公开号：US20180170879A1

  公开（公告）日：2018-06-21

  [Problem] The present invention is to provide a novel pyrazole derivative, or a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the same, and a pharmaceutical use thereof. [Solution] The present invention provides a compound represented by the formula (I) or a pharmaceutically acceptable salt thereof, which has TRPM8 inhibitory effects: wherein ring A is C 6-10 aryl or the like; X is CR 4a or the like; R 1 and R 2 are a hydrogen atom or the like; R 3 is a hydrogen atom or the like; R 4 is a hydrogen atom or the like; ring B is C 6-10 aryl or the like; R 5 is a hydrogen atom or the like; R 6a is a hydrogen atom or the like; R 7a is a hydrogen atom or the like; R 7b is a hydrogen atom or the like; R 6b is a hydrogen atom or the like; R 8 is a hydrogen atom or the like; n is 0, 1 or 2. Therefore, the compound represented by the formula (I) of the present invention or a pharmaceutically acceptable salt thereof is useful as an agent for treating or preventing diseases or symptoms caused by hyperexcitability or disorder of afferent neurons.