Tert-butyl 4-[2-[bis[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]ethyl]amino]ethoxy]benzoate | 1213236-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Tert-butyl 4-[2-[bis[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]ethyl]amino]ethoxy]benzoate
• CAS: 1213236-82-8
• 化学式: C₃₉H₅₁NO₉
• 分子量: 677.835
• InChiKey: FMBGPYATLCCQAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  49
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[2-[bis[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]ethyl]amino]ethoxy]benzoate 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 Trifluoromethanesulfonate;tris[2-(4-carboxyphenoxy)ethyl]-methylazanium
  参考文献：
  名称：

  Designing dendrimers for ocular drug delivery

  摘要：

  New series of phosphorus-containing dendrimers, having one quaternary ammonium salt as core and carboxylic acid terminal groups have been synthesized from generation 0 (3 carboxylic acid terminal groups) to generation 2 (12 carboxylic acid terminal groups). These dendrimers react with the neutral form of carteolol (an ocular anti-hypertensive drug used to treat glaucoma) to afford ion pair (saline) species. The solubility in water of these charged dendrimers depends on the generation considered: generation 0 (3 carteolol) is well soluble, whereas generation 1 (6 carteolol) and generation 2 (12 carteolol) are poorly soluble. These dendrimers have been tested in vivo, as vehicle for ocular drug delivery of carteolol to rabbits. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.10.017
• 作为产物：
  描述：

  4-羟基苯甲酸叔丁酯 、 三(2-氯乙基)胺盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以88%的产率得到Tert-butyl 4-[2-[bis[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]ethyl]amino]ethoxy]benzoate
  参考文献：
  名称：

  Designing dendrimers for ocular drug delivery

  摘要：

  New series of phosphorus-containing dendrimers, having one quaternary ammonium salt as core and carboxylic acid terminal groups have been synthesized from generation 0 (3 carboxylic acid terminal groups) to generation 2 (12 carboxylic acid terminal groups). These dendrimers react with the neutral form of carteolol (an ocular anti-hypertensive drug used to treat glaucoma) to afford ion pair (saline) species. The solubility in water of these charged dendrimers depends on the generation considered: generation 0 (3 carteolol) is well soluble, whereas generation 1 (6 carteolol) and generation 2 (12 carteolol) are poorly soluble. These dendrimers have been tested in vivo, as vehicle for ocular drug delivery of carteolol to rabbits. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.10.017

文献信息

• Designing dendrimers for ocular drug delivery
  作者：Grégory Spataro、François Malecaze、Cédric-Olivier Turrin、Vincent Soler、Carine Duhayon、Pierre-Paul Elena、Jean-Pierre Majoral、Anne-Marie Caminade

  DOI：10.1016/j.ejmech.2009.10.017

  日期：2010.1

  New series of phosphorus-containing dendrimers, having one quaternary ammonium salt as core and carboxylic acid terminal groups have been synthesized from generation 0 (3 carboxylic acid terminal groups) to generation 2 (12 carboxylic acid terminal groups). These dendrimers react with the neutral form of carteolol (an ocular anti-hypertensive drug used to treat glaucoma) to afford ion pair (saline) species. The solubility in water of these charged dendrimers depends on the generation considered: generation 0 (3 carteolol) is well soluble, whereas generation 1 (6 carteolol) and generation 2 (12 carteolol) are poorly soluble. These dendrimers have been tested in vivo, as vehicle for ocular drug delivery of carteolol to rabbits. (C) 2009 Elsevier Masson SAS. All rights reserved.