(3-fluoro-4-methylphenyl)(4-(6-isobutoxypyrimidin-4-yl)piperazin-1-yl)methanone | 1359732-07-2

• 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: (3-fluoro-4-methylphenyl)(4-(6-isobutoxypyrimidin-4-yl)piperazin-1-yl)methanone
• 英文别名: (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
• CAS: 1359732-07-2
• 化学式: C₂₀H₂₅FN₄O₂
• 分子量: 372.443
• InChiKey: NBJMCVYUIUQLPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl 4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxylate 在 盐酸 、 sodium hydride 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 36.25h， 生成 (3-fluoro-4-methylphenyl)(4-(6-isobutoxypyrimidin-4-yl)piperazin-1-yl)methanone
  参考文献：
  名称：

  [EN] ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS
  [FR] DÉRIVÉS D'ACYLPIPÉRAZINE À TITRE DE BLOQUEURS DE TTX-S

  摘要：

  本发明涉及酰基哌嗪衍生物，具有阻断电压门控钠通道（如TTX-S通道）活性的特性，可用于治疗或预防涉及电压门控钠通道的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及电压门控钠通道的疾病中使用这些化合物和组合物。

  公开号：

  WO2012020567A1

文献信息

• Acyl Piperazine Derivatives as TTX-S Blockers
  申请人：Morita Mikiko

  公开号：US20130150356A1

  公开（公告）日：2013-06-13

  The present invention relates to acyl piperazine derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰基哌嗪衍生物，具有阻断电压门控钠通道（TTX-S通道）的活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病方面非常有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及电压门控钠通道的疾病中使用这些化合物和组合物的用途。
• Acyl piperazine derivatives as TTX-S blockers
  申请人：Morita Mikiko

  公开号：US08999974B2

  公开（公告）日：2015-04-07

  The present invention relates to acyl piperazine derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰基哌嗪衍生物，其具有阻断电压门控钠通道（如TTX-S通道）的活性，并且在涉及电压门控钠通道的疾病或疾病的治疗或预防中很有用。本发明还涉及包含这些化合物的药物组合物以及在涉及电压门控钠通道的疾病或疾病的预防或治疗中使用这些化合物和组合物。
• US8999974B2
  申请人：——

  公开号：US8999974B2

  公开（公告）日：2015-04-07
• [EN] ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS<br/>[FR] DÉRIVÉS D'ACYLPIPÉRAZINE À TITRE DE BLOQUEURS DE TTX-S
  申请人：RAQUALIA PHARMA INC

  公开号：WO2012020567A1

  公开（公告）日：2012-02-16

  The present invention relates to acyl piperazine derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰基哌嗪衍生物，具有阻断电压门控钠通道（如TTX-S通道）活性的特性，可用于治疗或预防涉及电压门控钠通道的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及电压门控钠通道的疾病中使用这些化合物和组合物。