Piperazine amide, 6g | 1173834-37-1

• 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: Piperazine amide, 6g
• 英文别名: N-[3-chloro-2-(4-prop-2-enylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
• CAS: 1173834-37-1
• 化学式: C₁₈H₂₁ClN₄O
• 分子量: 344.844
• InChiKey: NGHYJTPCQZDPGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  51.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  吡咯-2-羧酸氯 、 3-Chloro-2-(4-prop-2-enylpiperazin-1-yl)aniline 在 吡啶 作用下， 生成 Piperazine amide, 6g
  参考文献：
  名称：

  Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors

  摘要：

  A novel series of c-jun N-terminal kinase (JNK) inhibitors were designed and developed from a high-throughput-screening hit. Through the optimization of the piperazine amide 1, several potent compounds were discovered. The X-ray crystal structure of 4g showed a unique binding mode different from other well known JNK3 inhibitors.

  DOI：

  10.1016/j.bmcl.2009.03.086

文献信息

• Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors
  作者：Youseung Shin、Weiming Chen、Jeff Habel、Derek Duckett、Yuan Yuan Ling、Marcel Koenig、Yuanjun He、Tomas Vojkovsky、Philip LoGrasso、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2009.03.086

  日期：2009.6

  A novel series of c-jun N-terminal kinase (JNK) inhibitors were designed and developed from a high-throughput-screening hit. Through the optimization of the piperazine amide 1, several potent compounds were discovered. The X-ray crystal structure of 4g showed a unique binding mode different from other well known JNK3 inhibitors.