N,N'-[disulfanediyldi(pentane-5,1-diyl)]diquinoline-2-carboxamide | 1350981-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N,N'-[disulfanediyldi(pentane-5,1-diyl)]diquinoline-2-carboxamide
• 英文别名: N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
• CAS: 1350981-64-4
• 化学式: C₃₀H₃₄N₄O₂S₂
• 分子量: 546.758
• InChiKey: PIMJKHFMZCVCSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  38
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-溴-1,1,1-三氟丙酮 、 N,N'-[disulfanediyldi(pentane-5,1-diyl)]diquinoline-2-carboxamide 在 sodium tetrahydroborate 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以58%的产率得到N-{5-[(3,3,3-trifluoro-2-hydroxypropyl)sulfanyl]pentyl}-2-quinolinecarboxamide
  参考文献：
  名称：

  Synthesis of 2-quinolinecarboxamide derivatives as potential HDAC inhibitors

  摘要：

  Inhibition of histone deacetylase activity appears as an original and effective approach for the treatment of cancer. A series of novel quinoline-containing derivatives has been synthesized and found that some of these compounds possess nanomolar histone deacetylase inhibitory activity.

  DOI：

  10.1007/s10593-011-0825-x
• 作为产物：
  描述：

  5-氨基-1-戊醇 在 四溴化碳 、 三苯基膦 、 N,N'-羰基二咪唑 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 53.0h， 生成 N,N'-[disulfanediyldi(pentane-5,1-diyl)]diquinoline-2-carboxamide
  参考文献：
  名称：

  Synthesis of 2-quinolinecarboxamide derivatives as potential HDAC inhibitors

  摘要：

  Inhibition of histone deacetylase activity appears as an original and effective approach for the treatment of cancer. A series of novel quinoline-containing derivatives has been synthesized and found that some of these compounds possess nanomolar histone deacetylase inhibitory activity.

  DOI：

  10.1007/s10593-011-0825-x

文献信息

• Synthesis of 2-quinolinecarboxamide derivatives as potential HDAC inhibitors
  作者：O. Habarova、O. Bobiļeva、E. Loža、N. Romančikova

  DOI：10.1007/s10593-011-0825-x

  日期：2011.9

  Inhibition of histone deacetylase activity appears as an original and effective approach for the treatment of cancer. A series of novel quinoline-containing derivatives has been synthesized and found that some of these compounds possess nanomolar histone deacetylase inhibitory activity.