6-silaspiro[5.5]undecan-3-one | 1330166-64-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-silaspiro[5.5]undecan-3-one
• CAS: 1330166-64-7
• 化学式: C₁₀H₁₈OSi
• 分子量: 182.338
• InChiKey: HXXWEKHNIXINRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  6-silaspiro[5.5]undecan-3-one 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel

  摘要：

  We describe the use of organosilanes as inhibitors and structural probes of a membrane protein, the M2 proton channel from influenza A virus. Organosilane amine inhibitors were found to be generally as potent as their carbon analogues in targeting WT A/M2 and more potent against the drug-resistant A/M2-V27A mutant. In addition, intermolecular NOESY spectra with dimethyl-substituted organosilane amine inhibitors clearly located the drug binding site at the N-terminal lumen of the A/M2 channel dose to V27.

  DOI：

  10.1021/ja2050666
• 作为产物：
  描述：

  1,1-二氯硅杂环己烷 在 9-borabicyclo[3.3.1]nonane dimer 、 lithium tert-butoxide 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 6.5h， 生成 6-silaspiro[5.5]undecan-3-one
  参考文献：
  名称：

  Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel

  摘要：

  We describe the use of organosilanes as inhibitors and structural probes of a membrane protein, the M2 proton channel from influenza A virus. Organosilane amine inhibitors were found to be generally as potent as their carbon analogues in targeting WT A/M2 and more potent against the drug-resistant A/M2-V27A mutant. In addition, intermolecular NOESY spectra with dimethyl-substituted organosilane amine inhibitors clearly located the drug binding site at the N-terminal lumen of the A/M2 channel dose to V27.

  DOI：

  10.1021/ja2050666