1-O-benzyl 4-O-[2,3-bis[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy]propyl] butanedioate | 1395056-12-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 1-O-benzyl 4-O-[2,3-bis[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy]propyl] butanedioate
• CAS: 1395056-12-8
• 化学式: C₄₂H₄₂O₁₀
• 分子量: 706.789
• InChiKey: JKWUKHGJOJASHD-FMNPBKIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  52
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1-O-benzyl 4-O-[2,3-bis[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy]propyl] butanedioate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Novel Dendritic Naproxen Prodrugs with Poly(aspartic Acid) Oligopeptide: Synthesis and Hydroxyapatite Binding in Vitro

  摘要：

  Novel bone-targeting prodrugs containing dendritic naproxen and poly(aspartic acid) oligopeptide were synthesized in a convergent approach and were characterized by NMR, mass spectral, and elemental analysis techniques. The modified naproxen prodrugs showed a high affinity to hydroxyapatite in vitro and provided an effective entry for the synthesis of a dendritic naproxen-poly(aspartic acid) oligopeptide conjugates used for bone targeting.

  DOI：

  10.1080/00397911.2011.584259
• 作为产物：
  描述：

  琥珀酸苄酯 在 4-二甲氨基吡啶 、 水 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 53.0h， 生成 1-O-benzyl 4-O-[2,3-bis[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy]propyl] butanedioate
  参考文献：
  名称：

  Novel Dendritic Naproxen Prodrugs with Poly(aspartic Acid) Oligopeptide: Synthesis and Hydroxyapatite Binding in Vitro

  摘要：

  Novel bone-targeting prodrugs containing dendritic naproxen and poly(aspartic acid) oligopeptide were synthesized in a convergent approach and were characterized by NMR, mass spectral, and elemental analysis techniques. The modified naproxen prodrugs showed a high affinity to hydroxyapatite in vitro and provided an effective entry for the synthesis of a dendritic naproxen-poly(aspartic acid) oligopeptide conjugates used for bone targeting.

  DOI：

  10.1080/00397911.2011.584259

文献信息

• Novel Dendritic Naproxen Prodrugs with Poly(aspartic Acid) Oligopeptide: Synthesis and Hydroxyapatite Binding in Vitro
  作者：Junzhu Pan、Lifang Ma、Bo Li、Yanhua Li、Li Guo

  DOI：10.1080/00397911.2011.584259

  日期：2012.12.1

  Novel bone-targeting prodrugs containing dendritic naproxen and poly(aspartic acid) oligopeptide were synthesized in a convergent approach and were characterized by NMR, mass spectral, and elemental analysis techniques. The modified naproxen prodrugs showed a high affinity to hydroxyapatite in vitro and provided an effective entry for the synthesis of a dendritic naproxen-poly(aspartic acid) oligopeptide conjugates used for bone targeting.