| 1449579-96-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• CAS: 1449579-96-7
• 化学式: C₇H₇BrO₂Se
• 分子量: 281.995
• InChiKey: MLAYWVJRPQYNPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Methyl-4H-furo<3,2-b>-indol-2-carboxylat 、 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.41h， 以34%的产率得到methyl 4-((5-(methoxycarbonyl)selenophen-2-yl)methyl)-4H-furo[3,2-b]indole-2-carboxylate
  参考文献：
  名称：

  Synthesis and anticancer activity of 2,4-disubstituted furo[3,2-b]indole derivatives

  摘要：

  We synthesized and evaluated a series of 2,4-disubstituted furo[3,2-b]indole derivatives for anticancer activity and established the structure activity relationships (SARs) of these compounds. Among all tested compounds, we found (5-((2-(hydroxymethyl)-4H-furo[3,2-b]indol-4-yl)methyl)furan-2-yl) methanol (10a) to be the most promising agent. In screening against NCI-60 human tumor cell lines, 10a exhibited highly selective anticancer activity and significant inhibitory activity against A498 renal cancer cells. Our COMPARE analysis results suggest that the 10a fingerprint is similar to that of NSC-754549, which is an isostere of YC-1. We further confirmed the significant antitumor activity of compound 10a with tests in the A498 xenograft nude mice model. Therefore, compound 10a should be further developed as a new drug candidate for treating renal cancer. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.06.012