[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-[1-[(4-chlorophenyl)methyl]indol-3-yl]methanone | 501660-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-[1-[(4-chlorophenyl)methyl]indol-3-yl]methanone
• CAS: 501660-44-2
• 化学式: C₃₂H₄₄ClN₃O₃Si₂
• 分子量: 610.344
• InChiKey: BZAVBGBKACFJKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  58.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-[1-[(4-chlorophenyl)methyl]indol-3-yl]methanone 在 四丁基氟化铵 作用下， 以81%的产率得到[1-(4-Chlorobenzyl)-1H-indol-3-yl-]-[4-hydroxymethyl-1-(2-trimethylsilanylethoxy-methyl)-1H-imidazol-2-yl]methanone
  参考文献：
  名称：

  Conjugated indole-imidazole derivatives displaying cytotoxicity against multidrug resistant cancer cell lines

  摘要：

  We report herein the SAR studies of a series of indole-imidazole compounds. that demonstrate substantial in vitro anti-proliferative activities against cancer cell lines, including multidrug resistance (MDR) phenotypes. The in vitro cytotoxic effects have been demonstrated across a wide array of tumor types, including hematologic and solid tumor cell lines of various origins (e.g., leukemia, breast, colon, and uterine). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.020
• 作为产物：
  描述：

  4-(((tert-butyldimethylsilyl)oxy)methyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole 在 manganese(IV) oxide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 二氯甲烷 、 乙基苯 为溶剂， 反应 1.5h， 生成 [4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-[1-[(4-chlorophenyl)methyl]indol-3-yl]methanone
  参考文献：
  名称：

  Conjugated indole-imidazole derivatives displaying cytotoxicity against multidrug resistant cancer cell lines

  摘要：

  We report herein the SAR studies of a series of indole-imidazole compounds. that demonstrate substantial in vitro anti-proliferative activities against cancer cell lines, including multidrug resistance (MDR) phenotypes. The in vitro cytotoxic effects have been demonstrated across a wide array of tumor types, including hematologic and solid tumor cell lines of various origins (e.g., leukemia, breast, colon, and uterine). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.020