N,N-bis(2-hydroxyethyl)-3-(4-nitrophenyl)-1H-pyrazole-5-carboxamide | 1446419-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N,N-bis(2-hydroxyethyl)-3-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
• CAS: 1446419-06-2
• 化学式: C₁₄H₁₆N₄O₅
• 分子量: 320.305
• InChiKey: JDUBXCFOZGEJDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对硝基苯乙酮 在 吡啶 、 sodium ethanolate 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 N,N-bis(2-hydroxyethyl)-3-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  Synthesis and acrosin inhibitory activities of 5-phenyl-1H-pyrazole-3-carboxylic acid amide derivatives

  摘要：

  A series of novel 5-phenyl-1H-pyrazole-3-carboxylic acid amide derivatives were designed, synthesized, and their acrosin inhibitory activities in vitro were evaluated. The results of the acrosin inhibitory activity showed that all target compounds were more potent than control TLCK. CompoundsAQ-A1, AQ-D3, AQ-D4, AQ-E4 and AQ-E5 exhibited stronger acrosin inhibitory activities than control ISO-1. Especially, compound AQ-E5 displayed the most potent acrosin inhibitory activity in all the compounds, with an IC50 of 0.01 mu mol/mL. This study provided a new structural class for the development of novel acrosin inhibitory agents. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.031