N-[4-(3-Chloro-propionyl)-benzyl]-acetamide | 330200-19-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[4-(3-Chloro-propionyl)-benzyl]-acetamide
• 英文别名: N-[[4-(3-chloropropanoyl)phenyl]methyl]acetamide
• CAS: 330200-19-6
• 化学式: C₁₂H₁₄ClNO₂
• 分子量: 239.702
• InChiKey: ZWSSQZSTDLHYFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[4-(3-Chloro-propionyl)-benzyl]-acetamide 在 三乙基硅烷 、 三氟乙酸 作用下， 生成 N-[4-(3-Chloro-propyl)-benzyl]-acetamide
  参考文献：
  名称：

  Novel phenylpiperazine derivatives as dual cytokine regulators with TNF-α suppressing and IL-10 augmenting activity

  摘要：

  Phenylpiperazine derivatives were synthesized as dual cytokine regulators with TNF-alpha suppressing and IL-10 augmenting activity. Lead optimization led to compound 5k having the potent regulatory activity and demonstrating remarkable protective effects against the lethal challenge of LPS in mice, suggesting that 5k would be a promising drug candidate for the treatment of TNF-alpha associated diseases including septic shock. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00128-1
• 作为产物：
  描述：

  苄胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 、 三氯化铝 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 N-[4-(3-Chloro-propionyl)-benzyl]-acetamide
  参考文献：
  名称：

  Novel phenylpiperazine derivatives as dual cytokine regulators with TNF-α suppressing and IL-10 augmenting activity

  摘要：

  Phenylpiperazine derivatives were synthesized as dual cytokine regulators with TNF-alpha suppressing and IL-10 augmenting activity. Lead optimization led to compound 5k having the potent regulatory activity and demonstrating remarkable protective effects against the lethal challenge of LPS in mice, suggesting that 5k would be a promising drug candidate for the treatment of TNF-alpha associated diseases including septic shock. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00128-1