12-Amino-7-[2-(dimethylamino)ethyl]-11-thia-7,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,9(16),10(14),12-hexaene-6,8-dione | 851673-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 12-Amino-7-[2-(dimethylamino)ethyl]-11-thia-7,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,9(16),10(14),12-hexaene-6,8-dione
• CAS: 851673-88-6
• 化学式: C₁₇H₁₆N₄O₂S
• 分子量: 340.406
• InChiKey: CVJHVEKGIYGWFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-amino-naphthalene-1,8-dicarboxylic acid-anhydride 、 potassium thioacyanate 、 N,N-二甲基乙二胺 在 溴 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 50.0h， 以55%的产率得到12-Amino-7-[2-(dimethylamino)ethyl]-11-thia-7,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,9(16),10(14),12-hexaene-6,8-dione
  参考文献：
  名称：

  Highly efficient antitumor agents of heterocycles containing sulfur atom: Linear and angular thiazonaphthalimides against human lung cancer cell in vitro

  摘要：

  A novel series of aminothiazonaphthalimides, A(1-2) and B1-2, has been regioselectively synthesized. The linear compounds B1-2 were evaluated to be far more active than their angular isomers A(1-2) in antitumor evaluation. The linear compounds C-F, derived from compound B-1, all showed highly efficient antitumor activities against A549 and P388 cell lines. Also, cytoroxicities of these four analogues against two tumor cells were highly dependent on the length of the side chains. The compound A(1) or B-1, with two methylene units in the side chain, was more cytotoxic than its corresponding homologue A(2) or B-2, with one more methylene unit. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.07.008

文献信息

• Highly efficient antitumor agents of heterocycles containing sulfur atom: Linear and angular thiazonaphthalimides against human lung cancer cell in vitro
  作者：Xuhong Qian、Zhigang Li、Qing Yang

  DOI：10.1016/j.bmc.2007.07.008

  日期：2007.11

  A novel series of aminothiazonaphthalimides, A(1-2) and B1-2, has been regioselectively synthesized. The linear compounds B1-2 were evaluated to be far more active than their angular isomers A(1-2) in antitumor evaluation. The linear compounds C-F, derived from compound B-1, all showed highly efficient antitumor activities against A549 and P388 cell lines. Also, cytoroxicities of these four analogues against two tumor cells were highly dependent on the length of the side chains. The compound A(1) or B-1, with two methylene units in the side chain, was more cytotoxic than its corresponding homologue A(2) or B-2, with one more methylene unit. (C) 2007 Elsevier Ltd. All rights reserved.