N-(4-cyclopropyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl)-4-methoxybenzamide

• 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: N-(4-cyclopropyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl)-4-methoxybenzamide
• 英文别名: N-(4-cyclopropyl-5-pyridin-2-yl-1H-pyrazol-3-yl)-4-methoxybenzamide
• 化学式: C₁₉H₁₈N₄O₂
• 分子量: 334.378
• InChiKey: BPYDFDHOSHVOGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环丙乙腈 在 一水合肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 反应 51.0h， 生成 N-(4-cyclopropyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl)-4-methoxybenzamide
  参考文献：
  名称：

  Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity

  摘要：

  Visceral leishmaniasis is a severe parasitic disease that is one of the most neglected tropical diseases. Treatment options are limited, and there is an urgent need for new therapeutic agents. Following an HTS campaign and hit-optimization, novel series of amino-pyrazole ureas has been identified with potent in vitro antileishmanial activity. Furthermore, compound 26 shows high levels of in vivo efficacy (>90%) against Leishmania infantum, thus demonstrating proof of concept for this series.

  DOI：

  10.1021/acs.jmedchem.5b01456

文献信息

• Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity
  作者：Charles E. Mowbray、Stéphanie Braillard、William Speed、Paul A. Glossop、Gavin A. Whitlock、Karl R. Gibson、James E. J. Mills、Alan D. Brown、J. Mark F. Gardner、Yafeng Cao、Wen Hua、Garreth L. Morgans、Pim-Bart Feijens、An Matheeussen、Louis J. Maes

  DOI：10.1021/acs.jmedchem.5b01456

  日期：2015.12.24

  Visceral leishmaniasis is a severe parasitic disease that is one of the most neglected tropical diseases. Treatment options are limited, and there is an urgent need for new therapeutic agents. Following an HTS campaign and hit-optimization, novel series of amino-pyrazole ureas has been identified with potent in vitro antileishmanial activity. Furthermore, compound 26 shows high levels of in vivo efficacy (>90%) against Leishmania infantum, thus demonstrating proof of concept for this series.