2-[1-(4-Chlorobenzyl)-1H-indole-3-carbonyl]-1-(2-trimethylsilanylethoxymethyl)-1H-imidazole-4-carbaldehyde | 501660-46-4

• 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: 2-[1-(4-Chlorobenzyl)-1H-indole-3-carbonyl]-1-(2-trimethylsilanylethoxymethyl)-1H-imidazole-4-carbaldehyde
• 英文别名: 2-[1-[(4-Chlorophenyl)methyl]indole-3-carbonyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde
• CAS: 501660-46-4
• 化学式: C₂₆H₂₈ClN₃O₃Si
• 分子量: 494.065
• InChiKey: YEZJVMNZIUAZCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[1-(4-Chlorobenzyl)-1H-indole-3-carbonyl]-1-(2-trimethylsilanylethoxymethyl)-1H-imidazole-4-carbaldehyde 在 盐酸 、 manganese(IV) oxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 1-[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]propan-1-one
  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：

  [1-(4-Chlorobenzyl)-1H-indol-3-yl-]-[4-hydroxymethyl-1-(2-trimethylsilanylethoxy-methyl)-1H-imidazol-2-yl]methanone 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 2-[1-(4-Chlorobenzyl)-1H-indole-3-carbonyl]-1-(2-trimethylsilanylethoxymethyl)-1H-imidazole-4-carbaldehyde
  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