4-[[4-(4-Bromobutoxy)phenyl]-cyclopentylidenemethyl]phenol | 1224593-59-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[4-(4-Bromobutoxy)phenyl]-cyclopentylidenemethyl]phenol
• CAS: 1224593-59-2
• 化学式: C₂₂H₂₅BrO₂
• 分子量: 401.343
• InChiKey: RNALJNHXDIKPEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[[4-(4-Bromobutoxy)phenyl]-cyclopentylidenemethyl]phenol 、 二甲基吡啶胺 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 18.0h， 以63%的产率得到4-((4-(4-(bis(pyridin-2-ylmethyl)amino)butoxy)phenyl)(cyclopentylidene)methyl)phenol
  参考文献：
  名称：

  Design, synthesis, and evaluation of cyclofenil derivatives for potential SPECT imaging agents

  摘要：

  To develop technetium- and rhenium-labeled nonsteroidal estrogen imaging agents for estrogen receptor (ER) positive breast tumors, two groups of rhenium and technetium cyclofenil derivatives were synthesized and characterized. The binding affinities of the rhenium complexes for ERs were determined. The tricarbonyl rhenium complex showed the highest binding affinity for ERs (81.2 for ER beta, 16.5 for ER alpha). Tricarbonyl technetium cyclofenil complexes were obtained in high radiochemical purity and radiochemical yields. The results of studies of their octanol/water partition and in vitro stability are presented. These results demonstrate that these radiolabeled cyclofenil derivatives may be considered as potential breast cancer imaging agents.

  DOI：

  10.1007/s00775-010-0627-0
• 作为产物：
  描述：

  4,4'-二羟基二苯甲酮 在 四氯化钛 、 potassium carbonate 、 锌 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 9.5h， 生成 4-[[4-(4-Bromobutoxy)phenyl]-cyclopentylidenemethyl]phenol
  参考文献：
  名称：

  Design, synthesis, and evaluation of cyclofenil derivatives for potential SPECT imaging agents

  摘要：

  To develop technetium- and rhenium-labeled nonsteroidal estrogen imaging agents for estrogen receptor (ER) positive breast tumors, two groups of rhenium and technetium cyclofenil derivatives were synthesized and characterized. The binding affinities of the rhenium complexes for ERs were determined. The tricarbonyl rhenium complex showed the highest binding affinity for ERs (81.2 for ER beta, 16.5 for ER alpha). Tricarbonyl technetium cyclofenil complexes were obtained in high radiochemical purity and radiochemical yields. The results of studies of their octanol/water partition and in vitro stability are presented. These results demonstrate that these radiolabeled cyclofenil derivatives may be considered as potential breast cancer imaging agents.

  DOI：

  10.1007/s00775-010-0627-0

文献信息

• Design, synthesis, and evaluation of cyclofenil derivatives for potential SPECT imaging agents
  作者：Hua Zhu、Liliang Huang、Yuanqing Zhang、Xiaoping Xu、Yanhong Sun、Yu-Mei Shen

  DOI：10.1007/s00775-010-0627-0

  日期：2010.5

  To develop technetium- and rhenium-labeled nonsteroidal estrogen imaging agents for estrogen receptor (ER) positive breast tumors, two groups of rhenium and technetium cyclofenil derivatives were synthesized and characterized. The binding affinities of the rhenium complexes for ERs were determined. The tricarbonyl rhenium complex showed the highest binding affinity for ERs (81.2 for ER beta, 16.5 for ER alpha). Tricarbonyl technetium cyclofenil complexes were obtained in high radiochemical purity and radiochemical yields. The results of studies of their octanol/water partition and in vitro stability are presented. These results demonstrate that these radiolabeled cyclofenil derivatives may be considered as potential breast cancer imaging agents.