| 1372105-15-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1372105-15-1
• 化学式: C₉H₁₀F₃NOSe
• 分子量: 284.14
• InChiKey: LMVPPTYUJTUGGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.25
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile 、 以 乙腈 为溶剂， 反应 1.5h， 以35%的产率得到8-oxo-3-((2-((4-(trifluoromethoxy)phenyl)selanyl)ethyl)amino)-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile
  参考文献：
  名称：

  新型含硒苊并[1,2-b]吡咯衍生物：合成与生物活性

  摘要：

  图形摘要 摘要 设计并合成了七种新型含硒苊并 [1,2-b] 吡咯衍生物，并通过 MTT 四唑鎓染料测定评估了它们的细胞毒性作用。两种化合物表现出良好的抗癌活性。

  DOI：

  10.1080/10426507.2015.1072187

文献信息

• Selenium-containing naphthalimides as anticancer agents: Design, synthesis and bioactivity
  作者：Liwei Zhao、Jianfeng Li、Yiquan Li、Jianwen Liu、Thomas Wirth、Zhong Li

  DOI：10.1016/j.bmc.2012.02.049

  日期：2012.4

  Selenium analogues (4b-4h, and 4j) of two known sulfur compounds were synthesized and tested their anticancer activities. The selenium compound 4b had comparable activity with its sulfur analogue 4a, while DNA-binding study showed these two compounds had similar interaction with ct-DNA, the K-b was 8.23 and 2.36, respectively. The primary results showed that most compounds had moderate anticancer activities with IC50 values between 10 (6) and 10 (5) M. Another selenium analogue 4j showed the highest activity with the IC50 values around 5.3 mu M against K562 and MCF-7 cell lines. More importantly, the organochalcogen compounds exhibited stronger anticancer activities against K562 cell line than the other cell lines tested. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.