4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide | 1215006-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
• 英文别名: 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
• CAS: 1215006-87-3
• 化学式: C₁₇H₁₆N₄O₂
• 分子量: 308.34
• InChiKey: RASOBZOYDVIHOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  96.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzonitrile 在 水 、 双氧水 、 sodium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以56%的产率得到4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
  参考文献：
  名称：

  Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy

  摘要：

  New, selective 3-aminopyrazole based MK2-inhibitors were discovered by scaffold hopping strategy. The new derivatives proved to inhibit intracellular phosphorylation of hsp27 as well as LPS-induced TNF alpha release in cells. In addition, selected derivative 14e also inhibited LPS-induced TNF alpha release in vivo. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.138

文献信息

• Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy
  作者：Juraj Velcicky、Roland Feifel、Stuart Hawtin、Richard Heng、Christine Huppertz、Guido Koch、Markus Kroemer、Henrik Moebitz、Laszlo Revesz、Clemens Scheufler、Achim Schlapbach

  DOI：10.1016/j.bmcl.2009.10.138

  日期：2010.2

  New, selective 3-aminopyrazole based MK2-inhibitors were discovered by scaffold hopping strategy. The new derivatives proved to inhibit intracellular phosphorylation of hsp27 as well as LPS-induced TNF alpha release in cells. In addition, selected derivative 14e also inhibited LPS-induced TNF alpha release in vivo. (C) 2009 Elsevier Ltd. All rights reserved.