N-(7-chloro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide | 947725-18-0

• 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: N-(7-chloro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide
• CAS: 947725-18-0
• 化学式: C₁₁H₁₂ClN₃O₄S
• 分子量: 317.753
• InChiKey: UKSBFULDFGMSRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  90.41
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-(7-chloro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide 在 盐酸 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 10.0h， 生成 N-(7-chloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(3-methoxypropyl)methanesulfonamide
  参考文献：
  名称：

  N-(6,7-Dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-d-aspartate receptor antagonists for the treatment of pain

  摘要：

  It has been hypothesized that peripherally restricted NMDA receptor antagonists may be effective analgesics for osteoarthritis pain. A class of novel quinoxalinedione atropisomers, first discovered for an NMDA receptor antagonist program for the treatment of stroke, was evaluated and further optimized with the goal of finding peripherally restricted NMDA receptor antagonists. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.083
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 N-(7-chloro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide
  参考文献：
  名称：

  N-(6,7-Dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-d-aspartate receptor antagonists for the treatment of pain

  摘要：

  It has been hypothesized that peripherally restricted NMDA receptor antagonists may be effective analgesics for osteoarthritis pain. A class of novel quinoxalinedione atropisomers, first discovered for an NMDA receptor antagonist program for the treatment of stroke, was evaluated and further optimized with the goal of finding peripherally restricted NMDA receptor antagonists. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.083