1-(4-((3,5-dimethoxyphenoxy)methyl)phenethyl)-4-(4-(trifluoromethyl)phenyl)piperazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-((3,5-dimethoxyphenoxy)methyl)phenethyl)-4-(4-(trifluoromethyl)phenyl)piperazine
• 英文别名: 1-[2-[4-[(3,5-Dimethoxyphenoxy)methyl]phenyl]ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine；1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine
• 化学式: C₂₈H₃₁F₃N₂O₃
• 分子量: 500.561
• InChiKey: AEZFTCZPBZYPHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  34.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(溴甲基)苯乙酸 在 4-二甲氨基吡啶 、 dimethyl sulfide borane 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 、 乙腈 为溶剂， 反应 59.0h， 生成 1-(4-((3,5-dimethoxyphenoxy)methyl)phenethyl)-4-(4-(trifluoromethyl)phenyl)piperazine
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel arylpiperazine derivatives on human prostate cancer cell lines

  摘要：

  A series of novel arylpiperazine derivatives was synthesized. The in vitro cytotoxic activities of all synthesized compounds against three human prostate cancer cell lines (PC-3, LNCaP, and DU145) were evaluated by a CCK-8 assay. Compounds 10, 24 and 29 exhibited strong cytotoxic activities against LNCaP cells (IC50 < 3 mu M). In addition, these compounds exhibited weak cytotoxic effects on human epithelial prostate normal cells RWPE-1. The structure-activity relationship (SAR) of these arylpiperazine derivatives was also discussed based on the obtained experimental data. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2014.11.049

文献信息

• Design, synthesis and biological evaluation of novel arylpiperazine derivatives on human prostate cancer cell lines
  作者：Hong Chen、Fang Xu、Xue Liang、Bing-Bing Xu、Zong-Lin Yang、Xue-Lan He、Bi-Yun Huang、Mu Yuan

  DOI：10.1016/j.bmcl.2014.11.049

  日期：2015.1

  A series of novel arylpiperazine derivatives was synthesized. The in vitro cytotoxic activities of all synthesized compounds against three human prostate cancer cell lines (PC-3, LNCaP, and DU145) were evaluated by a CCK-8 assay. Compounds 10, 24 and 29 exhibited strong cytotoxic activities against LNCaP cells (IC50 < 3 mu M). In addition, these compounds exhibited weak cytotoxic effects on human epithelial prostate normal cells RWPE-1. The structure-activity relationship (SAR) of these arylpiperazine derivatives was also discussed based on the obtained experimental data. (C) 2014 Published by Elsevier Ltd.