(3Ar,7ar)-7a-methyl-1-[1-(5,5,5-trifluoro-4-hydroxy-4-trifluoromethyl-pentenyl)-cyclopropyl]-3a,4,5,6,7,7a-hexahydro-3h-inden-4-one

• 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: (3Ar,7ar)-7a-methyl-1-[1-(5,5,5-trifluoro-4-hydroxy-4-trifluoromethyl-pentenyl)-cyclopropyl]-3a,4,5,6,7,7a-hexahydro-3h-inden-4-one
• 英文别名: (3aR,7aR)-7a-methyl-1-[1-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-1-enyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one
• 化学式: C₁₉H₂₂F₆O₂
• 分子量: 396.4
• InChiKey: RQAWEIAPFATIAG-SWLSCSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (3Ar,4s,7ar)-7a-methyl-1-[1-(5,5,5-trifluoro-4-hydroxy-4-trifluoromethyl-pent-2z-enyl)-cyclopropyl]-3a,4,5,6,7,7a-hexahydro-3h-inden-4-ol 、 Cornforth reagent 在 silica gel 、 乙酸乙酯 、 正己烷 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以to give a crude (3aR,7aR)-7a-Methyl-1-[1-(5,5,5-trifluoro-4-hydroxy-4-trifluoromethyl-pentenyl)-cylopropyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-4-one (600 mg, 1.51 mmol, 98%)的产率得到(3Ar,7ar)-7a-methyl-1-[1-(5,5,5-trifluoro-4-hydroxy-4-trifluoromethyl-pentenyl)-cyclopropyl]-3a,4,5,6,7,7a-hexahydro-3h-inden-4-one
  参考文献：
  名称：

  Methods for treating bladder dysfunction

  摘要：

  本发明提供了使用维生素D类化合物，例如1-α-氟-25-羟基-16,23-二烯-26,27-双同型-20-表-胆钙化醇，用于预防或治疗膀胱功能障碍。

  公开号：

  US20070054887A1

文献信息

• 20-Cyclopropyl, 26,27-Alkyl/Haloalkyl Vitamin D3 Compounds and Methods of Use Thereof
  申请人：Uskokovic Milan R.

  公开号：US20080318911A1

  公开（公告）日：2008-12-25

  The invention provides vitamin D 3 analogs of cholecalciferol, substituted at carbon 20 with cycloalkyl, e.g., cyclopropyl, wherein carbon-16 is a double bond, and carbon-23 is a single, double, or triple bond. Various alkyl or haloalkyl substitutions are incorporated as carbon-25. The invention provides pharmaceutically acceptable esters, salts, and prodrugs thereof. Methods for using the compounds to treat vitamin D 3 associated states, and pharmaceutical compositions containing the compounds are also disclosed.

  该发明提供了以环烷基（例如环丙基）取代碳20的胆钙醇的维生素D3类似物，其中碳16是双键，碳23是单键，双键或三键。各种烷基或卤代烷基取代被并入碳25。该发明提供了药学上可接受的酯，盐和其前药。还揭示了使用这些化合物治疗维生素D3相关状态的方法以及含有这些化合物的制剂。
• Treatment of Interstitial Cystitis with Vitamin D Compounds
  申请人：Colli Enrico

  公开号：US20080039434A1

  公开（公告）日：2008-02-14

  There is provided according to the invention a vitamin D compound for use in the prevention and/or treatment of interstitial cystitis. Also provided is a method for preventing and/or treating interstitial cystitis by administering an effective amount of a vitamin D compound.

  本发明提供了一种维生素D化合物，用于预防和/或治疗间质性膀胱炎。同时提供了一种方法，通过给予有效剂量的维生素D化合物来预防和/或治疗间质性膀胱炎。
• Use of Vitamin D Compounds to Treat Endometriosis
  申请人：Panina Paola

  公开号：US20080280860A1

  公开（公告）日：2008-11-13

  The use of vitamin D compounds in the treatment or prevention of endometriosis, methods for the treatment or prevention of endometriosis by administering a vitamin D compound, and compounds for use therein.

  维生素D化合物在治疗或预防子宫内膜异位症中的应用，通过给予维生素D化合物治疗或预防子宫内膜异位症的方法，以及用于其中的化合物。
• Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer
  申请人：Adorini Luciano

  公开号：US20080293647A1

  公开（公告）日：2008-11-27

  There is provided according to the invention a method of treating a patient with bladder cancer by administering a effective amount of a vitamin D compound in combination with one or more other antiproliferative agents. Also provided are uses of a vitamin D compound in combination with one or more other antiproliferative agents and compositions for use in the method.

  根据本发明提供了一种治疗患有膀胱癌的患者的方法，该方法是通过同时给予一种有效量的维生素D化合物和一种或多种其他抗增殖剂。还提供了维生素D化合物与一种或多种其他抗增殖剂的用途以及用于该方法的组合物。