methyl 2-[[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylcarbamoyl-hydroxyamino]-2-methylpropanoate | 203120-86-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 2-[[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylcarbamoyl-hydroxyamino]-2-methylpropanoate
• CAS: 203120-86-9
• 化学式: C₂₃H₃₄N₂O₅
• 分子量: 418.533
• InChiKey: YADPIYFAQPFLEU-QGOAFFKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  88.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-[[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylcarbamoyl-hydroxyamino]-2-methylpropanoate 在 potassium trimethylsilonate 作用下， 以 四氢呋喃 为溶剂， 生成 potassium;2-[[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylcarbamoyl-hydroxyamino]-2-methylpropanoate
  参考文献：
  名称：

  N-Hydroxyglycine derivatives as novel inhibitors of squalene synthase

  摘要：

  The squalene synthase inhibiting properties of farnesyl diphosphate (FPP) mimics, 3 and related analogues, are described. The results indicate that the nonphosphorus-containing N-hydroxyglycine is a novel replacement for the diphosphate group. Further optimization of 3 has led to 12, a new and potent squalene synthase inhibitor. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10133-0
• 作为产物：
  描述：

  3-((E)-3,7-Dimethyl-octa-2,6-dienyloxy)-benzylamine 以 四氢呋喃 、 甲苯 为溶剂， 反应 17.0h， 生成 methyl 2-[[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylcarbamoyl-hydroxyamino]-2-methylpropanoate
  参考文献：
  名称：

  N-Hydroxyglycine derivatives as novel inhibitors of squalene synthase

  摘要：

  The squalene synthase inhibiting properties of farnesyl diphosphate (FPP) mimics, 3 and related analogues, are described. The results indicate that the nonphosphorus-containing N-hydroxyglycine is a novel replacement for the diphosphate group. Further optimization of 3 has led to 12, a new and potent squalene synthase inhibitor. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10133-0