2-(3-Chlorophenyl)-9-methoxy-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one | 936566-28-8

• 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: 2-(3-Chlorophenyl)-9-methoxy-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
• CAS: 936566-28-8
• 化学式: C₂₆H₁₉ClN₂O₂
• 分子量: 426.902
• InChiKey: VICZFXDFBSKKIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-Chlorophenyl)-9-methoxy-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 3.5h， 生成
  参考文献：
  名称：

  Darpones and water-soluble aminobutoxylated darpone derivatives are distinguished by matrix COMPARE analysis

  摘要：

  Darpones are a class of compounds with antiproliferative activity for cancer cells in vitro and in mouse models. In order to improve the solubility of the compounds, darpones with aminobutoxy side chains were synthesized. The new derivatives showed retained antiproliferative activity for cultured cancer cell lines. However, a change of the selectivity pattern in the in vitro cell line screening project of the American National Cancer Institute indicates that the solubilized derivatives might act through a different biological mechanism. A matrix COMPARE analysis of the cancer cell line screening data clearly distinguished darpones with and without solubilizing aminobutoxy side chains. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.043
• 作为产物：
  描述：

  8-methoxy-1H-[1]benzazepine-2,5-(3H,4H)-dione 在 lithium hydroxide 、 ammonium ferric sulfate dodecahydrate 、 ammonium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 2-(3-Chlorophenyl)-9-methoxy-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
  参考文献：
  名称：

  Darpones and water-soluble aminobutoxylated darpone derivatives are distinguished by matrix COMPARE analysis

  摘要：

  Darpones are a class of compounds with antiproliferative activity for cancer cells in vitro and in mouse models. In order to improve the solubility of the compounds, darpones with aminobutoxy side chains were synthesized. The new derivatives showed retained antiproliferative activity for cultured cancer cell lines. However, a change of the selectivity pattern in the in vitro cell line screening project of the American National Cancer Institute indicates that the solubilized derivatives might act through a different biological mechanism. A matrix COMPARE analysis of the cancer cell line screening data clearly distinguished darpones with and without solubilizing aminobutoxy side chains. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.043

文献信息

• Darpones and water-soluble aminobutoxylated darpone derivatives are distinguished by matrix COMPARE analysis
  作者：Christian Prühs、Conrad Kunick

  DOI：10.1016/j.bmcl.2007.01.043

  日期：2007.4

  Darpones are a class of compounds with antiproliferative activity for cancer cells in vitro and in mouse models. In order to improve the solubility of the compounds, darpones with aminobutoxy side chains were synthesized. The new derivatives showed retained antiproliferative activity for cultured cancer cell lines. However, a change of the selectivity pattern in the in vitro cell line screening project of the American National Cancer Institute indicates that the solubilized derivatives might act through a different biological mechanism. A matrix COMPARE analysis of the cancer cell line screening data clearly distinguished darpones with and without solubilizing aminobutoxy side chains. (c) 2007 Elsevier Ltd. All rights reserved.