1-(2-Diethylamino-ethylamino)-2-methoxy-4-methyl-thioxanthen-9-one | 80568-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 1-(2-Diethylamino-ethylamino)-2-methoxy-4-methyl-thioxanthen-9-one
• 英文别名: 1-[2-(Diethylamino)ethylamino]-2-methoxy-4-methylthioxanthen-9-one
• CAS: 80568-16-7
• 化学式: C₂₁H₂₆N₂O₂S
• 分子量: 370.516
• InChiKey: PIASGGLJPMCCPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯-3-甲氧基甲苯 在 吡啶 、 硫酸 作用下， 反应 38.0h， 生成 1-(2-Diethylamino-ethylamino)-2-methoxy-4-methyl-thioxanthen-9-one
  参考文献：
  名称：

  Ring-hydroxylated analogs of lucanthone as antitumor agents

  摘要：

  A series of ring-alkoxylated and ring-hydroxylated analogues of lucanthone was prepared and tested for antitumor activity. The most biologically interesting members of this group were the 7-hydroxylucanthone derivatives, 50 and 51, which gave T/C values in the NCI P-388 antitumor screen of 188 and 265, respectively. The apparent association constants and delta Tm values for a number of analogue-DNA complexes were determined to ascertain whether there was any quantitative correlation with biological activity. The most that can be said is that intercalation may be a necessary but far from sufficient condition for antitumor activity.

  DOI：

  10.1021/jm00345a006

文献信息

• Ring-hydroxylated analogs of lucanthone as antitumor agents
  作者：Sydney Archer、Kenneth J. Miller、Rabindra Rej、Cecily Periana、Lloyd Fricker

  DOI：10.1021/jm00345a006

  日期：1982.3

  A series of ring-alkoxylated and ring-hydroxylated analogues of lucanthone was prepared and tested for antitumor activity. The most biologically interesting members of this group were the 7-hydroxylucanthone derivatives, 50 and 51, which gave T/C values in the NCI P-388 antitumor screen of 188 and 265, respectively. The apparent association constants and delta Tm values for a number of analogue-DNA complexes were determined to ascertain whether there was any quantitative correlation with biological activity. The most that can be said is that intercalation may be a necessary but far from sufficient condition for antitumor activity.