1-(2-Methyl-6-nitrophenyl)piperazine | 444581-54-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(2-Methyl-6-nitrophenyl)piperazine
• CAS: 444581-54-8
• 化学式: C₁₁H₁₅N₃O₂
• 分子量: 221.259
• InChiKey: YJRBUOUZNXKSOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 1-(2-Methyl-6-nitrophenyl)piperazine 生成
  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
• 作为产物：
  描述：

  哌嗪 、 2-氯-3-硝基甲苯 以 neat 为溶剂， 生成 1-(2-Methyl-6-nitrophenyl)piperazine
  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

• Melanocortin receptor agonists
  申请人：——

  公开号：US20040092507A1

  公开（公告）日：2004-05-13

  The present invention relates to melanocortin receptor agonists of formula (I), which is useful in the treatment of obesity, diabetes and male and/or female sexual dysfunction. 1

  本发明涉及公式（I）的黑色素皮质素受体激动剂，其在肥胖症、糖尿病和男性和/或女性性功能障碍的治疗中有用。
• PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1368340A1

  公开（公告）日：2003-12-10
• US7291619B2
  申请人：——

  公开号：US7291619B2

  公开（公告）日：2007-11-06
• [EN] MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] DERIVES DE PIPERAZINE AGONISTES DU RECEPTEUR DE LA MELANOCORTINE
  申请人：LILLY CO ELI

  公开号：WO2002059108A1

  公开（公告）日：2002-08-01

  The present invention relates to melanocortin receptor agonists of formula (I), which is useful in the treatment of obesity, diabetes and male and/or female sexual dysfunction.
• 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.