[2-(3-formyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-[6-(4-phenyl-butoxy)-hexyl]-carbamic acid tert-butyl ester | 917480-06-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-(3-formyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-[6-(4-phenyl-butoxy)-hexyl]-carbamic acid tert-butyl ester
• 英文别名: [2-(3-Formyl-4-hydroxyphenyl)-2R-hydroxyethyl][6-(4-phenylbutoxy)hexyl]carbamic acid tert-butyl ester；[2-(3-formyl-4-hydroxyphenyl)-2-hydroxyethyl][6-(4-phenylbutoxy)hexyl]carbamic acid tert-butyl ester；tert-butyl N-[2-(3-formyl-4-hydroxyphenyl)-2-hydroxyethyl]-N-[6-(4-phenylbutoxy)hexyl]carbamate
• CAS: 917480-06-9
• 化学式: C₃₀H₄₃NO₆
• 分子量: 513.675
• InChiKey: WKYFAFRDKFUPLV-UHFFFAOYSA-N

物化性质

• 沸点：
  650.3±55.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-(3-formyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-[6-(4-phenyl-butoxy)-hexyl]-carbamic acid tert-butyl ester 、 二叔丁基氯甲基磷酸酯 在 四丁基碘化铵 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以65%的产率得到{2-[4-(di-tert-butoxy-phosphoryloxymethoxy)-3-formyl-phenyl]-2-hydroxy-ethyl}-[6-(4-phenyl-butoxy)-hexyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY

  摘要：

  新的化学实体包括皮质类固醇和磷酸化的β-激动剂，用于治疗以及包含这些化学实体的组合物和制备它们的方法。

  公开号：

  US20090318396A1
• 作为产物：
  描述：

  [2-hydroxy-2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethyl]-[6-(4-phenyl-butoxy)-hexyl]-carbamic acid tert-butyl ester 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以77%的产率得到[2-(3-formyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-[6-(4-phenyl-butoxy)-hexyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  WO2008/76265

  摘要：

  公开号：

文献信息

• Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction
  申请人：Baker William

  公开号：US20100098641A1

  公开（公告）日：2010-04-22

  A mutual prodrug of an AISTM and a β-agonist in 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 about 5.0 and 7.0 for the treatment of respiratory tract inflammation and bronchoconstriction by an aerosol having mass median average diameter predominantly between about 1 to 5μ, produced by nebulization or by dry powder inhaler.

  描述了一种AISTM和β-激动剂的相互前药，用喷雾剂递送以抑制肺部炎症和支气管收缩。最好将相互前药制成小体积溶液（10-500μL），溶于pH在约5.0至7.0之间的四分之一正常盐水中，通过雾化或干粉吸入器产生主要在1至5μ之间的质量中位数平均直径的气溶胶，用于治疗呼吸道炎症和支气管收缩。
• Monophosphates as Mutual Prodrugs of Muscarinic Receptor Antagonists and Beta-Agonists for the Treatment of COPD And Chronic Bronchitis
  申请人：Baker William

  公开号：US20100112061A1

  公开（公告）日：2010-05-06

  A mutual prodrug of a MRA and a (β-agonist for formulation for delivery by aerosolization to inhibit pulmonary 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 bronchoconstriction by an aerosol having mass median average diameter predominantly between 1 to 5μ, produced by nebulization or by dry powder inhaler.

  一种互补的MRA和β-激动剂的共同前药，用于制备气雾剂以抑制肺部支气管收缩。该共同前药最好在小容积溶液中（10-500μL）中制备，溶于四分之一的生理盐水，pH在5.0至7.0之间，用于治疗呼吸道支气管收缩，通过喷雾或干粉吸入器产生的质量中位数平均直径主要在1至5μ之间的气雾剂。
• 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。
• WO2008/76269
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2006/138212
  申请人：——

  公开号：——

  公开（公告）日：——