1-methyl-3-[(N-{2-[4-({4-[bis(2-chloroethyl)] amino}phenyl)butanoyloxy]ethyl})carbamoyl]-1,4-dihydropyridine | 123630-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-methyl-3-[(N-{2-[4-({4-[bis(2-chloroethyl)] amino}phenyl)butanoyloxy]ethyl})carbamoyl]-1,4-dihydropyridine
• 英文别名: 2-[(1-methyl-4H-pyridine-3-carbonyl)amino]ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
• CAS: 123630-80-8
• 化学式: C₂₃H₃₁Cl₂N₃O₃
• 分子量: 468.423
• InChiKey: YWVIHFQYCOKTKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Pharmaceutical formulations for parenteral use
  申请人：UNIVERSITY OF FLORIDA

  公开号：EP0335545A2

  公开（公告）日：1989-10-04

  Aqueous parenteral solutions of drugs which are insoluble or only sparingly'soluble in water and/or which are unstable in water, combined with a hydroxypropyl,hydroxyethyl, glucosyl, maltosyl or maltotriosyl derivative of 3-or γ-cyclodextrin, provide a means for alleviating problems associated with drug precipitation at the injection site and/or in the lungs or other organs following parenteral administration.

  不溶于水或只能少量溶于水和/或在水中不稳定的药物的肠外水溶液与 3-或 γ-环糊精的羟丙基、羟乙基、葡糖基、麦芽糖基或麦芽三糖基衍生物结合使用，可以缓解肠外给药后药物在注射部位和/或肺部或其他器官沉淀的问题。
• Redox systems for brain-targeted drug delivery
  申请人：UNIVERSITY OF FLORIDA

  公开号：EP0327766A2

  公开（公告）日：1989-08-16

  Inclusion complexes of hydroxypropyl, hydroxyethyl, glucosyl, maltosyl or maltotriosyl derivatives of β- or γ-cyclodextrin with the reduced, biooxidizable, blood-brain barrier penetrating, lipoidal forms of dihydropyridine = pyridinium salt redox systems for brain-targeted drug delivery provide a means for stabilizing the redox systems, particularly against oxidation. The redox inclusion complexes also provide a means for decreasing initial drug concentrations in the lungs after administration of the systems, leading to decreased toxicity. In selected instances, complexation results in substantially improved water solubility of the redox systems as well.

  β-或γ-环糊精的羟丙基、羟乙基、葡糖基、麦芽糖基或麦芽三糖基衍生物与还原型、可生物氧化、可穿透血脑屏障、类脂形式的二氢吡啶＝吡啶鎓盐氧化还原体系的包合物为脑靶向给药提供了一种稳定氧化还原体系，特别是防止氧化的方法。氧化还原包合物还能降低给药后肺部的初始药物浓度，从而降低毒性。在某些情况下，络合物还能大大提高氧化还原体系的水溶性。
• Cyclodextrin complexation
  申请人：CYCLOPS h.f.

  公开号：EP0579435A1

  公开（公告）日：1994-01-19

  The invention provides a method for enhancing the complexation of a cyclodextrin with a lipophilic and/or water-labile drug, comprising combining from about 0.1 to about 70% (weight/volume) of a cyclodextrin and from about 0.001 to about 5% (weight/volume) of a pharmaceutically acceptable, pharmacologically inactive, water-soluble polymer in an aqueous medium, the polymer and cyclodextrin being dissolved in the aqueous medium before the drug is added, the aqueous medium which comprises the polymer and cyclodextrin being maintained at from about 30 to about 150°C for a period of from about 0.1 to about 100 hours before, during and/or after the drug is added, optionally followed by removal of water. Related methods, co-complexes of drug/cyclodextrin/polymer, pharmaceutical compositions and cyclodextrin/polymer complexing agents are also provided. Analogous methods, co-complexes and compositions in which the drug is replaced with a food additive, cosmetic additive or agrochemical are also described.

  本发明提供了一种增强环糊精与亲脂性和/或水溶性药物复配的方法，包括将约 0.1%至约 70%（重量/体积）的环糊精和约 0.001至约5%（重量/体积）的药学上可接受的、药理上无活性的水溶性聚合物在水介质中，聚合物和环糊精在添加药物之前溶解在水介质中，包含聚合物和环糊精的水介质在添加药物之前、期间和/或之后在约30至约150°C的温度下保持约0.1至约100小时，可选地随后除去水。还提供了相关的方法、药物/环糊精/聚合物的共复合物、药物组合物和环糊精/聚合物复配剂。此外，还介绍了用食品添加剂、化妆品添加剂或农用化学品替代药物的类似方法、共混物和组合物。
• US4983586A
  申请人：——

  公开号：US4983586A

  公开（公告）日：1991-01-08
• US5017566A
  申请人：——

  公开号：US5017566A

  公开（公告）日：1991-05-21