N-[[1-[[2-(diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl]-p-methoxy-benzenesulfonamide | 160006-79-1

• 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: N-[[1-[[2-(diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl]-p-methoxy-benzenesulfonamide
• 英文别名: N-[[1-[[2-(diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl](p-methoxy)benzenesulfonamide；N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-4-methoxybenzenesulfonamide
• CAS: 160006-79-1
• 化学式: C₂₇H₃₁N₃O₄S₂
• 分子量: 525.693
• InChiKey: SQTBIGSETRUWMG-UHFFFAOYSA-N

物化性质

• 沸点：
  724.1±70.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  甲烷磺酸 、 N-[[1-[[2-(diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl]-p-methoxy-benzenesulfonamide 以 甲醇 、 醋酸异丙酯 、 异丙醇 为溶剂， 生成 N-[[1-[[2-(Diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl](p-methoxy)benzenesulfonamide methanesulfonate
  参考文献：
  名称：

  Thioxanthenone antitumor agents

  摘要：

  公开号：

  EP1197491B1
• 作为产物：
  描述：

  1-[[2-(diethylamino)-ethyl]amino]-9-oxo-thioxanthen-4-carboxaldehyde 在 盐酸 、 甲酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 N-[[1-[[2-(diethylamino)ethyl]amino]-9-oxothioxanthen-4-yl]methyl]-p-methoxy-benzenesulfonamide
  参考文献：
  名称：

  Synthesis and Antitumor Activity of 4-Aminomethylthioxanthenone and 5-Aminomethylbenzothiopyranoindazole Derivatives

  摘要：

  Two new series of antitumor agents, 4-aminomethylthioxanthenones (6-50) and 5-aminomethylbenzothiopyranoindazoles (51-61), are described and compared. Nearly all members of both series display excellent in vivo activity versus murine pancreatic adenocarcinoma 03 (Panc03) although there is little to distinguish the two series from each other. In both series there is no discernible relationship between structure and in vivo efficacy. Selected analogues were evaluated in vitro; all were observed to have moderate to strong DNA binding via intercalation. However, varying degrees of in vitro P388 cytotoxicity and topoisomerase II inhibition were seen. In general, those molecules which exhibited strong topoisomerase II inhibition were significantly more cytotoxic than those which did not. In both series, those derivatives (48-50, 60, and 61) having a phenolic hydroxy substitution exhibited the most potent P388 cytotoxicity and topoisomerase II inhibition.

  DOI：

  10.1021/jm9708083

文献信息

• Lyophilized thioxanthenone antitumor agents
  申请人：Sanofi Winthrop, Inc.

  公开号：US05665760A1

  公开（公告）日：1997-09-09

  Disclosed are reconstituted lyophilized formulations for the treatment of mammalian tumors comprising a thioxanthenone antitumor agent in combination with mannitol or sucrose as a stabilizer in a lactate buffer.

  公开了用于治疗哺乳动物肿瘤的重组冻干制剂，该制剂包括一种噻吨酮类抗肿瘤剂，并与乳糖酸缓冲液中的甘露醇或蔗糖作为稳定剂结合使用。
• LYOPHILIZED THIOXANTHENONE ANTIMUMOR AGENTS
  申请人：Sanofi-Synthelabo, Inc.

  公开号：EP0917458B1

  公开（公告）日：2003-04-02
• US5346917A
  申请人：——

  公开号：US5346917A

  公开（公告）日：1994-09-13
• US5380749A
  申请人：——

  公开号：US5380749A

  公开（公告）日：1995-01-10
• US5665760A
  申请人：——

  公开号：US5665760A

  公开（公告）日：1997-09-09