| 1160842-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1160842-72-7
• 化学式: C₁₇H₁₂BrCl₃N₂O₂S
• 分子量: 494.623
• InChiKey: OXLALVAYORSDQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.63
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44.12
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 甲基锂 在 copper(I) bromide 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 5-(5-chloro-thiophen-2-yl)-1-(2',4'-dichloro-phenyl)-4-ethyl-1H-pyrazol-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Hair growth stimulator property of thienyl substituted pyrazole carboxamide derivatives as a cb1 receptor antagonist with in vivo antiobesity effect

  摘要：

  A few thienyl substituted pyrazole derivatives were synthesized to aid in the characterization of the cannabinoid receptor antagonist and also to serve as potentially useful antiobesity agent. Structural requirements for selective CB1 receptor antagonistic activity of 5-thienyl pyrazole derivatives included the structural similarity with potent, specific antagonist rimonabant 1. Compound 3 has been identified as a hair growth stimulator and an antiobesity agent in animal models. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.046
• 作为产物：
  描述：

  5-(5-chloro-thiophen-2-yl)-1-(2',4'-dichloro-phenyl)-4-methyl-1H-pyrazol-3-carboxylic acid ethyl ester 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Hair growth stimulator property of thienyl substituted pyrazole carboxamide derivatives as a cb1 receptor antagonist with in vivo antiobesity effect

  摘要：

  A few thienyl substituted pyrazole derivatives were synthesized to aid in the characterization of the cannabinoid receptor antagonist and also to serve as potentially useful antiobesity agent. Structural requirements for selective CB1 receptor antagonistic activity of 5-thienyl pyrazole derivatives included the structural similarity with potent, specific antagonist rimonabant 1. Compound 3 has been identified as a hair growth stimulator and an antiobesity agent in animal models. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.046