[1-(4-Chloro-benzyl)-1H-indol-3-yl]-[4-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-methanol | 926622-97-1

• 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: [1-(4-Chloro-benzyl)-1H-indol-3-yl]-[4-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-methanol
• CAS: 926622-97-1
• 化学式: C₃₀H₃₇ClN₄O₃Si
• 分子量: 565.187
• InChiKey: QNQWGXJKYMDHLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.49
• 重原子数：
  39.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.8
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [1-(4-Chloro-benzyl)-1H-indol-3-yl]-[4-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-methanol 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 2-[1-(4-chloro-benzyl)-1H-indole-3-carbonyl]-3H-imidazole-4-carboxylic acid
  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：

  3-吲哚甲醛 在 sodium hydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 为溶剂， 反应 1.5h， 生成 [1-(4-Chloro-benzyl)-1H-indol-3-yl]-[4-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-methanol
  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