N-(6-hydroxy-5-(hydroxymethyl)hexyl)docosanamide | 1353218-55-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-(6-hydroxy-5-(hydroxymethyl)hexyl)docosanamide
• 英文别名: N-[6-Hydroxy-5-(hydroxymethyl)hexyl]docosanamide；N-[6-hydroxy-5-(hydroxymethyl)hexyl]docosanamide
• CAS: 1353218-55-9
• 化学式: C₂₉H₅₉NO₃
• 分子量: 469.792
• InChiKey: JIYKXLVAQGQHCP-UHFFFAOYSA-N

物化性质

• 沸点：
  629.9±45.0 °C(Predicted)
• 密度：
  0.923±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  33.0
• 可旋转键数：
  27.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  69.56
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(6-hydroxy-5-(hydroxymethyl)hexyl)docosanamide 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 4.5h， 生成 4-((2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-6-docosanamidohexyl)oxy)-4-oxobutanoic acid
  参考文献：
  名称：

  Design, synthesis and anti-influenza virus activities of terminal modified antisense oligonucleotides

  摘要：

  Four novel terminal modified antisense oligonucleotides (ODNs) were designed, synthesized and tested for their anti-influenza virus activity. Initial biological studies indicated that lipophilic and rimantadin emodificated Flutide exhibited more potent anti-H1N1 activity than Flutide. Among them, lipophilic modificated ODN (Flutide-I) showed the most antiviral activity. The EC50 value of Flutide-I for inhibiting H1N1 induced cytopathic effect (CPE) and H1N1 RNA were respectively (0.26 +/- 0.16) mu M and (0.11 +/- 0.03) mu M. The cytotoxicity of these compounds has also been assessed. No significant cytotoxicities were found for any of these compounds with the concentrations up to 20 mu M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.10.129
• 作为产物：
  描述：

  丁腈二乙基丙二酸酯 在 lithium aluminium tetrahydride 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 16.5h， 生成 N-(6-hydroxy-5-(hydroxymethyl)hexyl)docosanamide
  参考文献：
  名称：

  Design, synthesis and anti-influenza virus activities of terminal modified antisense oligonucleotides

  摘要：

  Four novel terminal modified antisense oligonucleotides (ODNs) were designed, synthesized and tested for their anti-influenza virus activity. Initial biological studies indicated that lipophilic and rimantadin emodificated Flutide exhibited more potent anti-H1N1 activity than Flutide. Among them, lipophilic modificated ODN (Flutide-I) showed the most antiviral activity. The EC50 value of Flutide-I for inhibiting H1N1 induced cytopathic effect (CPE) and H1N1 RNA were respectively (0.26 +/- 0.16) mu M and (0.11 +/- 0.03) mu M. The cytotoxicity of these compounds has also been assessed. No significant cytotoxicities were found for any of these compounds with the concentrations up to 20 mu M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.10.129