21-acetoxy-16α,17α-butylidenedioxy-11β-hydroxypregna-4-ene-3,20-dione | 137174-27-7

• 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: 21-acetoxy-16α,17α-butylidenedioxy-11β-hydroxypregna-4-ene-3,20-dione
• 英文别名: [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] acetate
• CAS: 137174-27-7
• 化学式: C₂₇H₃₈O₇
• 分子量: 474.595
• InChiKey: DZQMDBLNJJYDJX-PONRWWDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  21-acetoxy-11β,16α,17-trihydroxy-pregn-4-ene-3,20-dione 、 正丁醛 生成 21-acetoxy-16α,17α-butylidenedioxy-11β-hydroxypregna-4-ene-3,20-dione
  参考文献：
  名称：

  HAJOS, GYORGY;MOLNAR, CSABA;TOTH, JOSSEF;KIRALY, ARPAD;FEKETE, GYORGY;SZP+

  摘要：

  DOI：

文献信息

• 4-Pregnene-derivatives, a process for their preparation and composition for the treatment of inflammatory conditions
  申请人：Aktiebolaget Draco

  公开号：EP0054010A1

  公开（公告）日：1982-06-16

  The invention refers to compounds having anti-inflammatory activity, characterized by the formula in the form of a stereoisomeric mixture or an epimer of the R or S type regarding the orientation of the substituents at the carbon atom in position 22, in which formula A is n-propyl or n-butyl and Z is hydroxyl or hydroxyl esterified with a fatty acid with a straight or branched hydrocarbon chain having 1-5 carbon atoms. The invention also refers to a process forthe preparation of these compounds, a pharmaceutical preparation containing one of the compounds and a method for the treatment and control of inflammatory conditions.

  本发明是指具有抗炎活性的化合物，其特征在于其式为 式中，A 为正丙基或正丁基，Z 为羟基或羟基与具有 1-5 个碳原子的直链或支链烃链的脂肪酸酯化。 本发明还涉及制备这些化合物的工艺、含有其中一种化合物的药物制剂以及治疗和控制炎症的方法。
• A process for the preparation of 16,17 acetals of pregnane derivatives and compounds obtained therefrom
  申请人：SICOR Società Italiana Corticosteroidi S.p.A.

  公开号：EP0164636A2

  公开（公告）日：1985-12-18

  @ A process for the preparation of 16,17 acetals of pregnane derivatives by trans-ketalization of 16,17-acetonides is described. In the instance of the preparation of 16a,17a-butylide- nedioxy-11β,21-dihydroxypregna-1,4-diene-3,20-dione, a compound having useful therapeutic properties, known also as budesonide, it is possible to obtain the more active epimer with high selectivity and remarkable economic advantages in comparison with the known methods. New 16,17 acetals of pregnane derivatives, which can be prepared by the method of the invention, are also described.

  本发明描述了一种通过 16,17-丙酮的反酮化作用制备孕烷衍生物的 16,17-乙缩醛的工艺。 在制备 16a,17a-丁基-奈迪奥酮-11β,21-二羟基孕甾-1,4-二烯-3,20-二酮（一种具有实用治疗特性的化合物，也称为布地奈德）的实例中，可以获得活性更高的外嵌体，与已知方法相比，具有高选择性和显著的经济优势。 本发明还描述了可通过本发明方法制备的新的孕烷衍生物 16,17-乙缩醛。
• US4404200A
  申请人：——

  公开号：US4404200A

  公开（公告）日：1983-09-13
• US4695625A
  申请人：——

  公开号：US4695625A

  公开（公告）日：1987-09-22
• US5643602A
  申请人：——

  公开号：US5643602A

  公开（公告）日：1997-07-01