2,3-bis(4-bromophenyl)-6-isocyanatoquinoxaline | 937724-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,3-bis(4-bromophenyl)-6-isocyanatoquinoxaline
• CAS: 937724-73-7
• 化学式: C₂₁H₁₁Br₂N₃O
• 分子量: 481.146
• InChiKey: NATLDLTXNWLWQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.46
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.21
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,3-bis(4-bromophenyl)-6-isocyanatoquinoxaline 、 3-哌啶基(1-吡咯烷)甲酮 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2,3-bis(4-bromophenyl)quinoxalin-6-yl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
  参考文献：
  名称：

  Quinoxalinylurea derivatives as a novel class of JSP-1 inhibitors

  摘要：

  A series of quinoxalinylurea-based inhibitors are synthesized and shown to be the novel and potent inhibitors against Jnk Stimulatory Phosphatase-1 (JSP-1), which is a special member of dual-specificity protein phosphatase (DSP) family. Biological assay and computational modeling studies showed the compounds were reversible and noncompetitive inhibitors of JSP-1. JSP-1 inhibitors may be useful for the treatment of inflammatory, vascular, neurodegenerative, metabolic, and oncological diseases in humans associated with dysfunctional Jnk signaling. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.094
• 作为产物：
  描述：

  4,4'-二溴联苯酰 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 2,3-bis(4-bromophenyl)-6-isocyanatoquinoxaline
  参考文献：
  名称：

  Quinoxalinylurea derivatives as a novel class of JSP-1 inhibitors

  摘要：

  A series of quinoxalinylurea-based inhibitors are synthesized and shown to be the novel and potent inhibitors against Jnk Stimulatory Phosphatase-1 (JSP-1), which is a special member of dual-specificity protein phosphatase (DSP) family. Biological assay and computational modeling studies showed the compounds were reversible and noncompetitive inhibitors of JSP-1. JSP-1 inhibitors may be useful for the treatment of inflammatory, vascular, neurodegenerative, metabolic, and oncological diseases in humans associated with dysfunctional Jnk signaling. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.094