cholest-5-en-3β-yl 6-nitrilohexyl ether | 103003-23-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: cholest-5-en-3β-yl 6-nitrilohexyl ether
• CAS: 103003-23-2
• 化学式: C₃₄H₅₇NO
• 分子量: 495.833
• InChiKey: KJZJKEAZVRROCR-PWAICBBHSA-N

物化性质

• 沸点：
  591.2±43.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.89
• 重原子数：
  36.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  33.02
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  cholest-5-en-3β-yl 6-nitrilohexyl ether 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 120.0h， 以40%的产率得到cholest-5-en-3β-yl 6-carboxyhexyl ether
  参考文献：
  名称：

  Functional cholesteryl binding agents: synthesis, characterization, and evaluation of antibody binding to modified phospholipid vesicles

  摘要：

  A series of functionalized cholesteryl derivatives were synthesized. The various lipophilic protein modification agents were analyzed for their protein binding ability. The binding of human IgG, labeled with 125I, to modified phospholipid vesicles was ascertained. Two agents performed well. These were cholest-5-en-3 beta-yl 5-carboxypentyl ether succinimido ester and cholest-5-en-3 beta-yl 6-carboxyhexyl ether succinimido ester.

  DOI：

  10.1021/jm00160a004
• 作为产物：
  描述：

  胆固醇 在 吡啶 、 sodium iodide 作用下， 以 1,4-二氧六环 、 二甲基亚砜 为溶剂， 反应 21.0h， 生成 cholest-5-en-3β-yl 6-nitrilohexyl ether
  参考文献：
  名称：

  Functional cholesteryl binding agents: synthesis, characterization, and evaluation of antibody binding to modified phospholipid vesicles

  摘要：

  A series of functionalized cholesteryl derivatives were synthesized. The various lipophilic protein modification agents were analyzed for their protein binding ability. The binding of human IgG, labeled with 125I, to modified phospholipid vesicles was ascertained. Two agents performed well. These were cholest-5-en-3 beta-yl 5-carboxypentyl ether succinimido ester and cholest-5-en-3 beta-yl 6-carboxyhexyl ether succinimido ester.

  DOI：

  10.1021/jm00160a004