5-(2-bromophenyl)-3-thiophen-3-yl-1H-pyrazole | 1456905-09-1

• 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-thiophen-3-yl-1H-pyrazole
• CAS: 1456905-09-1
• 化学式: C₁₃H₉BrN₂S
• 分子量: 305.198
• InChiKey: PEZLMVPBAAJUGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.9
• 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-thiophen-3-yl-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72%的产率得到5-phenyl-2-(thiophen-3-yl)pyrazolo[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：US10287251B2

  公开（公告）日：2019-05-14

  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. 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 C6-10 aryl or the like; X is CR4a or the like; R1 and R2 are a hydrogen atom or the like; R3 is a hydrogen atom or the like; R4 is a hydrogen atom or the like; ring B is C6-10 aryl or the like; R5 is a hydrogen atom or the like; R6a is a hydrogen atom or the like; R7a is a hydrogen atom or the like; R7b is a hydrogen atom or the like; R6b is a hydrogen atom or the like; R8 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.

  本发明旨在提供一种新型吡唑衍生物或其药学上可接受的盐、包含其的药物组合物及其药物用途。 本发明提供一种由式（I）代表的化合物或其药学上可接受的盐，该化合物具有 TRPM8 抑制作用： 其中环 A 是 C6-10 芳基或类似物；X 是 CR4a 或类似物；R1 和 R2 是氢原子或类似物；R3 是氢原子或类似物；R4 是氢原子或类似物；环 B 是 C6-10 芳基或类似物；R5 是氢原子或类似物； R6a 是氢原子或类似物； R7a 是氢原子或类似物； R7b 是氢原子或类似物； R6b 是氢原子或类似物； R8 是氢原子或类似物； n 是 0、1 或 2。因此，本发明的式 (I) 所代表的化合物或其药学上可接受的盐可用作治疗或预防由传入神经元过度兴奋或紊乱引起的疾病或症状的药物。
• 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.