1-(2-(2-bromoethoxy)ethoxy)hexane | 131665-97-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-(2-bromoethoxy)ethoxy)hexane
• 英文别名: Hexane, 1-[2-(2-bromoethoxy)ethoxy]-；1-[2-(2-bromoethoxy)ethoxy]hexane
• CAS: 131665-97-9
• 化学式: C₁₀H₂₁BrO₂
• 分子量: 253.18
• InChiKey: XKWCTSJLIHUEQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-(2-bromoethoxy)ethoxy)hexane 在 硫酸 、 sodium 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 27.0h， 生成
  参考文献：
  名称：

  JP5760218

  摘要：

  公开号：
• 作为产物：
  描述：

  二乙二醇单己醚 在 三溴化磷 作用下， 反应 2.0h， 生成 1-(2-(2-bromoethoxy)ethoxy)hexane
  参考文献：
  名称：

  JP5760218

  摘要：

  公开号：

文献信息

• Analogues of Thiolactomycin as Potential Antimalarial Agents
  作者：Simon M. Jones、Jonathan E. Urch、Marcel Kaiser、Reto Brun、John L. Harwood、Colin Berry、Ian H. Gilbert

  DOI：10.1021/jm049067d

  日期：2005.9.1

  Analogues of the natural antibiotic thiolactomycin (TLM), an inhibitor of the condensing reactions of type II fatty acid synthase, were synthesized and evaluated for their ability to inhibit the growth of the malaria parasite Plasmodium falciparum. Alkylation of the C4 hydroxyl group led to the most significant increase in growth inhibition (over a 100-fold increase in activity compared to TLM). To investigate the mode of action, the P. falciparum KASIII enzyme was produced for inhibitor assay. A number of TLM derivatives were identified that showed improved inhibition of this enzyme compared to TLM. Structure-activity relationships for enzyme inhibition were identified for some series of TLM analogues, and these also showed weak correlation with inhibition of parasite growth, but this did not hold for other series. On the basis of the lack of a clear correlation between inhibition of pfKASIII activity and parasite growth, we conclude that pfKASIII is not the primary target of TLM analogues. Some of the analogues also inhibited the growth of the parasitic protozoa Trypanosoma cruzi, T. brucei, and Leishmania donovani.