(E)-1,25-Dibromo-15-hydroxy-pentacos-11-en-13-one | 886037-79-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-1,25-Dibromo-15-hydroxy-pentacos-11-en-13-one
• 英文别名: (11E)-1,25-Dibromo-15-hydroxy-11-pentacosen-13-one；(E)-1,25-dibromo-15-hydroxypentacos-11-en-13-one
• CAS: 886037-79-2
• 化学式: C₂₅H₄₆Br₂O₂
• 分子量: 538.447
• InChiKey: IJUVRYLJNJSEAF-XDJHFCHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  29
• 可旋转键数：
  23
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  11-bromoundecan-1-al 、 alkaline earth salt of/the/ methylsulfuric acid 在 ferric(III) bromide 、 三氯化铁 作用下， 以 二氯甲烷 为溶剂， 生成 (E)-1,25-Dibromo-15-hydroxy-pentacos-11-en-13-one
  参考文献：
  名称：

  β′-Hydroxy-α,β-unsaturated ketones: A new pharmacophore for the design of anticancer drugs

  摘要：

  A series of beta'-hydroxy-alpha,beta-unsaturated ketones were prepared by means of an iron(III) catalyzed domino process. The in vitro antiproliferative activities were examined in the human solid tumor cell lines A2780, SW1573, and WiDr. The results showed that beta'-hydroxy-alpha,beta-unsaturated ketones were more potent than alpha,beta-unsaturated ketones. The best activity profiles were obtained for the derivatives bearing cyclic or branched substituents on the side chains. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.023

文献信息

• β′-Hydroxy-α,β-unsaturated ketones: A new pharmacophore for the design of anticancer drugs
  作者：José M. Padrón、Pedro O. Miranda、Juan I. Padrón、Víctor S. Martín

  DOI：10.1016/j.bmcl.2006.01.023

  日期：2006.4

  A series of beta'-hydroxy-alpha,beta-unsaturated ketones were prepared by means of an iron(III) catalyzed domino process. The in vitro antiproliferative activities were examined in the human solid tumor cell lines A2780, SW1573, and WiDr. The results showed that beta'-hydroxy-alpha,beta-unsaturated ketones were more potent than alpha,beta-unsaturated ketones. The best activity profiles were obtained for the derivatives bearing cyclic or branched substituents on the side chains. (C) 2006 Elsevier Ltd. All rights reserved.