1-[[2-(Diethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-9H-thioxanthen-9-one | 86455-90-5

• 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)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-9H-thioxanthen-9-one
• 英文别名: 1-{[2-(diethylamino)ethyl]amino}-7-hydroxy-4-(hydroxymethyl)-9H-thioxanthen-9-one；1-(2-Diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one；1-[2-(diethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
• CAS: 86455-90-5
• 化学式: C₂₀H₂₄N₂O₃S
• 分子量: 372.488
• InChiKey: UOFBHISZBBMGRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  98.1
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  间氯溴苯 在 吡啶 、 氢氧化钾 、 PPA 、 氢碘酸 、 铜 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 93.0h， 生成 1-[[2-(Diethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-9H-thioxanthen-9-one
  参考文献：
  名称：

  Analogs of hycanthone and lucanthone as antitumor agents

  摘要：

  Hycanthone analogues (5 and 6) containing 7-substituted hydroxyl groups were prepared and evaluated as antitumor agents. These compounds were significantly more active than the corresponding unsubstituted derivatives. The 7-hydroxylated 4-(hydroxymethyl)-9H-xanthen-9-ones, 11 and 12, were also active antitumor agents. However, the 7-hydroxy-9H-xanthen-9-one counterparts of the 7-hydroxylucanthones were totally devoid of antitumor activity. Results obtained thus far are consistent with the hypothesis that 4-hydroxymethyl substituents in the 9H-xanthen-9-one and 9H-thioxanthen-9-one series are required for antitumor activity.

  DOI：

  10.1021/jm00363a007

文献信息

• 7-Hydroxylucanthone, 7-hydroxhycanthone and their analogs
  申请人：Rensselaer Polytechnic Institute

  公开号：US04539412A1

  公开（公告）日：1985-09-03

  7-Hydroxylucanthone and 7-hydroxyhycanthone derivatives have been found to have significant antitumor effect. The derivatives are of the general formula: ##STR1## wherein the radicals R.sup.1 and R.sup.2 are lower alkyl groups or other simple groups and R.sup.3 is OH where X.dbd.O, and H or OH where X.dbd.S.

  7-羟基卢坎通和7-羟基海坎通衍生物已被发现具有显著的抗肿瘤效果。这些衍生物的一般化学式为：其中基团R.sup.1和R.sup.2为较低的烷基基团或其他简单基团，R.sup.3为OH，其中X=dbd.O，以及X=dbd.S时为H或OH。
• ARCHER, S.
  作者：ARCHER, S.

  DOI：——

  日期：——
• US4539412A
  申请人：——

  公开号：US4539412A

  公开（公告）日：1985-09-03