ethyl 3-[4-[(2-bromobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate | 1338234-68-6

• 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: ethyl 3-[4-[(2-bromobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
• CAS: 1338234-68-6
• 化学式: C₁₉H₁₆BrN₃O₃
• 分子量: 414.258
• InChiKey: NXSINMSRWAWVRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  84.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对硝基苯乙酮 在 tin(II) chloride dihdyrate 、 乙醇 、 sodium ethanolate 、 一水合肼 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 17.0h， 生成 ethyl 3-[4-[(2-bromobenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  Synthesis and acrosin inhibitory activities of substituted ethyl 5-(4-aminophenyl)-1H-pyrazole-3-carboxylate derivatives

  摘要：

  A series of novel ethyl 5-(4-aminophenyl)-1H-pyrazole-3-carboxylate derivatives were designed and synthesized and their in vitro acrosin inhibitory activities were evaluated. Most of the compounds exhibited acrosin inhibitory activities. Among them, three compounds (5l, 5n, and 5v) were more potent than that of the control TLCK. These provide a new structural type for the development of novel contraceptive acrosin inhibitory agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.110