4-bromo-2,2,5,7-tetramethylindan-1-one | 881410-88-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4-bromo-2,2,5,7-tetramethylindan-1-one
• 英文别名: 4-bromo-2,2,5,7-tetramethyl-3H-inden-1-one
• CAS: 881410-88-4
• 化学式: C₁₃H₁₅BrO
• 分子量: 267.166
• InChiKey: VFZVDBIGCXGMMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  15.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-bromo-2,2,5,7-tetramethylindan-1-one 在 sodium cyanoborohydride 、 zinc(II) iodide 作用下， 以 1,2-二氯乙烷 为溶剂， 以88%的产率得到4-Bromo-2,2,5,7-tetramethyl-1,3-dihydroindene
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of alcyopterosin A and illudalane derivatives as anticancer agents

  摘要：

  The synthesis of alcyopterosin A and a series of new derivatives possessing an illudalane skeleton is described. The DNA binding properties of these compounds have been examined and compared to those of reference drugs using a UV spectroscopy technique. The antitumor activity of selected compounds against a panel of 60 human tumor cell lines was tested in the in vitro anticancer screening of the National Cancer Institute. Redox properties were also evaluated. Tested compounds showed significant DNA affinity, derivatives 6 and 15 exhibited remarkable antiproliferative activity and have been identified as new leads in the antitumor strategies. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.033
• 作为产物：
  描述：

  4-bromo-5,7-dimethylindan-1-one 、 碘甲烷 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 92.0h， 以66%的产率得到4-bromo-2,2,5,7-tetramethylindan-1-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of alcyopterosin A and illudalane derivatives as anticancer agents

  摘要：

  The synthesis of alcyopterosin A and a series of new derivatives possessing an illudalane skeleton is described. The DNA binding properties of these compounds have been examined and compared to those of reference drugs using a UV spectroscopy technique. The antitumor activity of selected compounds against a panel of 60 human tumor cell lines was tested in the in vitro anticancer screening of the National Cancer Institute. Redox properties were also evaluated. Tested compounds showed significant DNA affinity, derivatives 6 and 15 exhibited remarkable antiproliferative activity and have been identified as new leads in the antitumor strategies. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.033