16,17-[(cyclohexylmethylene)bis(oxy)]-11-hydroxy-21-(4-fluoropiperidin-1-yl)-pregna-1,4-diene-3,20-dione[11β,16α(R)] | 917480-27-4

• 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: 16,17-[(cyclohexylmethylene)bis(oxy)]-11-hydroxy-21-(4-fluoropiperidin-1-yl)-pregna-1,4-diene-3,20-dione[11β,16α(R)]
• 英文别名: (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-8-[2-(4-fluoropiperidin-1-yl)acetyl]-11-hydroxy-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
• CAS: 917480-27-4
• 化学式: C₃₃H₄₆FNO₅
• 分子量: 555.73
• InChiKey: CUUAUEVGSHJREH-XDCYLPOVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Substituted Phenylphosphates as Mutual Prodrugs of Steroids and ß-Agonists for the Treatment of Title Pulmonary Inflammation and Bronchoconstriction
  申请人：Baker William

  公开号：US20100209508A1

  公开（公告）日：2010-08-19

  A mutual prodrug of a corticosteroid and a substituted phenylphosphate (β-agonist derivative) for formulation for delivery by aerosolization to inhibit pulmonary inflammation and bronchoconstriction is described. The mutual prodrug is preferably formulated in a small volume solution (10-500 μL) dissolved in a quarter normal saline having pH between 5.0 and 7.0 for the treatment of respiratory tract inflammation and bronchoconstriction by an aerosol having mass median average diameter predominantly between 1 to 5μ, produced by nebulization or by dry powder inhaler.

  本文描述了一种皮质类固醇和取代苯基磷酸酯（β-激动剂衍生物）的相互前药，用于制剂通过气溶胶化途径送达，以抑制肺部炎症和支气管收缩。该相互前药最好以小体积溶液（10-500μL）的形式制剂，溶于pH在5.0至7.0之间的四分之一的生理盐水中，通过雾化或干粉吸入器产生主要介于1至5μ之间的质量平均直径的气溶胶治疗呼吸道炎症和支气管收缩。