1-(2-氟-6-硝基苯基)哌嗪基 | 1234010-04-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(2-氟-6-硝基苯基)哌嗪基
• 英文名称: 1-(2-Fluoro-6-nitrophenyl)piperazine
• CAS: 1234010-04-8
• 化学式: C₁₀H₁₂FN₃O₂
• 分子量: 225.223
• InChiKey: LADNFZMLQLQVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 1-(2-氟-6-硝基苯基)哌嗪基 生成 1-Boc-4-(2-氟-6-硝基苯基)哌嗪基
  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-氟硝基苯 以 neat 为溶剂， 生成 1-(2-氟-6-硝基苯基)哌嗪基
  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

• PREPARATION AND UTILITY OF SUBSTITUTED OXZOLIDINONES
  申请人：Gant Thomas G.

  公开号：US20080146573A1

  公开（公告）日：2008-06-19

  Disclosed herein are substituted oxazolidinones of Formula I, processes of preparation thereof, pharmaceutical compositions thereof, and the methods of their use thereof.

  本文披露了式I的取代氧唑啉酮，其制备方法，药物组合物以及其使用方法。
• [EN] DEUTERATED OXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS<br/>[FR] PRÉPARATION ET UTILITÉ D'OXAZOLIDINONES SUBSTITUÉES
  申请人：AUSPEX PHARMACEUTICALS INC

  公开号：WO2008070619A1

  公开（公告）日：2008-06-12

  [EN] Disclosed herein are substituted oxazolidinones of Formula I, processes of preparation thereof, pharmaceutical compositions thereof, and their use as antibiotics. (Formula I).
  [FR] L'invention concerne des oxazolidinones substituées représentées par la formule I, des procédés de préparation, des compositions pharmaceutiques et des procédés d'utilisation de celles-ci.
• 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.