1-chloro-7-methoxy-4-methylthioxanthenone | 80568-31-6

• 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-chloro-7-methoxy-4-methylthioxanthenone
• 英文别名: 1-Chloro-7-methoxy-4-methylthioxanthen-9-one
• CAS: 80568-31-6
• 化学式: C₁₅H₁₁ClO₂S
• 分子量: 290.77
• InChiKey: BGAOLTAABGGKEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-chloro-7-methoxy-4-methylthioxanthenone 在 吡啶 、 氢碘酸 、 溶剂黄146 作用下， 反应 18.0h， 生成 9H-Thioxanthen-9-one, 7-hydroxy-1-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-4-methyl-
  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
• 作为产物：
  描述：

  2-疏基-5-甲氧基苯甲酸 在 copper bronze 、 硫酸 、 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 19.5h， 生成 1-chloro-7-methoxy-4-methylthioxanthenone
  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

• Canu; Iusco; Boido, Il Farmaco, 1989, vol. 44, # 11, p. 1069 - 1082
  作者：Canu、Iusco、Boido、Sparatore、Sparatore

  DOI：——

  日期：——
• Thioxanthenone-based derivatives as multitarget therapeutic leads for Alzheimer's disease
  作者：Michele Tonelli、Marco Catto、Raimon Sabaté、Valeria Francesconi、Erik Laurini、Sabrina Pricl、Leonardo Pisani、Daniela Valeria Miniero、Grazia Maria Liuzzi、Elena Gatta、Annalisa Relini、Rosalina Gavín、Jose Antonio Del Rio、Fabio Sparatore、Angelo Carotti

  DOI：10.1016/j.ejmech.2023.115169

  日期：2023.3