N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-3,3-dimethylbutanamide | 1428247-44-2

• 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-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-3,3-dimethylbutanamide
• CAS: 1428247-44-2
• 化学式: C₂₄H₄₉NO₂Si
• 分子量: 411.744
• InChiKey: QXEYGXCUZJIBQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.17
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-3,3-dimethylbutanamide 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 N-cyclohexyl-N-(6-hydroxyhexyl)-3,3-dimethylbutanamide
  参考文献：
  名称：

  N-Alkyldeoxynojirimycin derivatives with novel terminal tertiary amide substitution for treatment of bovine viral diarrhea virus (BVDV), Dengue, and Tacaribe virus infections

  摘要：

  Novel N-alkyldeoxynojirimycins (NADNJs) with two hydrophobic groups attached to a nitrogen linker on the alkyl chain were designed. A novel NADNJ containing a terminal tertiary carboxamide moiety was discovered that was a potent inhibitor against BVDV. Further optimization resulted in a structurally more stable lead compound 24 with a submicromolar EC50 against BVDV, Dengue, and Tacaribe; and low cytotoxicity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.108
• 作为产物：
  描述：

  (6-溴己氧基)-叔丁基二甲基硅烷 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-3,3-dimethylbutanamide
  参考文献：
  名称：

  N-Alkyldeoxynojirimycin derivatives with novel terminal tertiary amide substitution for treatment of bovine viral diarrhea virus (BVDV), Dengue, and Tacaribe virus infections

  摘要：

  Novel N-alkyldeoxynojirimycins (NADNJs) with two hydrophobic groups attached to a nitrogen linker on the alkyl chain were designed. A novel NADNJ containing a terminal tertiary carboxamide moiety was discovered that was a potent inhibitor against BVDV. Further optimization resulted in a structurally more stable lead compound 24 with a submicromolar EC50 against BVDV, Dengue, and Tacaribe; and low cytotoxicity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.108