6-Oxo-2-phenyl-6,7-dihydro-5H-1,7-diaza-dibenzo[a,c]cycloheptene-4-carboxylic acid | 357277-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-Oxo-2-phenyl-6,7-dihydro-5H-1,7-diaza-dibenzo[a,c]cycloheptene-4-carboxylic acid
• 英文别名: 6-Oxo-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-4-carboxylic acid
• CAS: 357277-65-7
• 化学式: C₂₀H₁₄N₂O₃
• 分子量: 330.343
• InChiKey: QCHCIQIFNXEULA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Oxo-2-phenyl-6,7-dihydro-5H-1,7-diaza-dibenzo[a,c]cycloheptene-4-carboxylic acid 在 copper chromite 作用下， 以 喹啉 为溶剂， 反应 6.0h， 以34%的产率得到2-Phenyl-5,7-dihydro-1,7-diaza-dibenzo[a,c]cyclohepten-6-one
  参考文献：
  名称：

  Aryl Rings Are Part of the Darpone Pharmacophore

  摘要：

  In order to investigate structure-activity relationships in the antiproliferative darpone series, the derivatives 8a and 8b lacking the aryl substituents in either 2- or 4-position were synthesized and evaluated for cancer cell growth inhibition. Since both 8a and 8b were devoid of noteworthy antiproliferative activity, both aryl substituents can be considered as part of the darpone pharmacophore.

  DOI：

  10.1002/1521-4184(200105)334:5<163::aid-ardp163>3.0.co;2-3
• 作为产物：
  描述：

  1H-[1]-苯并氮杂卓-2,5(3H,4H)-二酮 在 氢氧化钾 、 potassium permanganate 、 ammonium ferric sulfate 、 ammonium acetate 作用下， 以 乙醇 、 水 、 溶剂黄146 、 叔丁醇 为溶剂， 反应 24.0h， 生成 6-Oxo-2-phenyl-6,7-dihydro-5H-1,7-diaza-dibenzo[a,c]cycloheptene-4-carboxylic acid
  参考文献：
  名称：

  Aryl Rings Are Part of the Darpone Pharmacophore

  摘要：

  In order to investigate structure-activity relationships in the antiproliferative darpone series, the derivatives 8a and 8b lacking the aryl substituents in either 2- or 4-position were synthesized and evaluated for cancer cell growth inhibition. Since both 8a and 8b were devoid of noteworthy antiproliferative activity, both aryl substituents can be considered as part of the darpone pharmacophore.

  DOI：

  10.1002/1521-4184(200105)334:5<163::aid-ardp163>3.0.co;2-3

文献信息

• Aryl Rings Are Part of the Darpone Pharmacophore
  作者：Christiane Schultz、Andreas Link、Conrad Kunick

  DOI：10.1002/1521-4184(200105)334:5<163::aid-ardp163>3.0.co;2-3

  日期：2001.5

  In order to investigate structure-activity relationships in the antiproliferative darpone series, the derivatives 8a and 8b lacking the aryl substituents in either 2- or 4-position were synthesized and evaluated for cancer cell growth inhibition. Since both 8a and 8b were devoid of noteworthy antiproliferative activity, both aryl substituents can be considered as part of the darpone pharmacophore.