21-Chloro-11β-hydroxy-16α,17α-dimethylpregna-1,4-diene-3,20-dione | 111157-11-0

• 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-Chloro-11β-hydroxy-16α,17α-dimethylpregna-1,4-diene-3,20-dione
• 英文别名: (8S,9S,10R,11S,13S,14S,16R,17S)-17-(2-chloroacetyl)-11-hydroxy-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
• CAS: 111157-11-0
• 化学式: C₂₃H₃₁ClO₃
• 分子量: 390.95
• InChiKey: VZFUIBKIZISDHY-MGFGXPCXSA-N

物化性质

• 沸点：
  523.4±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  21-Chloro-11β-hydroxy-16α,17α-dimethylpregna-1,4-diene-3,20-dione 、 二氧化硫 、 甲基磺酰氯 在 硫酸 作用下， 以 N-甲基乙酰胺 、 2,3,5-三甲基吡啶 、 二氯甲烷 、 甲苯 为溶剂， 生成 21-chloro-16α,17α-dimethylpregna-1,4,9(11)-triene-3,20-dione
  参考文献：
  名称：

  Pregnane derivatives as immunomodulators

  摘要：

  该发明提供了具有以下公式的新型孕烷衍生物：其中X = F、Cl或Br；R1 = F或Cl；R2 = H(.beta.OH)或O；R3 = 烷基(1-4 C)；R4 = 烷基(1-4 C)；虚线表示双键的可选存在。已发现这些新型化合物具有免疫调节性能。

  公开号：

  US05192755A1
• 作为产物：
  描述：

  21-iodo-11β-hydroxy-16α,17α-dimethylpregna-1,4-diene-3,20-dione 在 lithium chloride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 21-Chloro-11β-hydroxy-16α,17α-dimethylpregna-1,4-diene-3,20-dione 、 21-chloro-11α-hydroxy-16α,17α-dimethylpregna-1,4-diene-3,20-dione
  参考文献：
  名称：

  Pregnane derivatives as immunomodulators

  摘要：

  该发明提供了具有以下公式的新型孕烷衍生物：其中X = F、Cl或Br；R1 = F或Cl；R2 = H(.beta.OH)或O；R3 = 烷基(1-4 C)；R4 = 烷基(1-4 C)；虚线表示双键的可选存在。已发现这些新型化合物具有免疫调节性能。

  公开号：

  US05192755A1

文献信息

• Novel pregnane derivatives, processes for their preparaton and pharmaceutical compositions containing same
  申请人：AKZO N.V.

  公开号：EP0231958A1

  公开（公告）日：1987-08-12

  The invention provides novel pregnane derivatives having the formula: wherein X = F, Cl or Br; R₁ = F or Cl; R₂ = H(βOH) or O; R₃ = alkyl(1-4 C); R₄ = alkyl(1-4 C); and the dotted line indicates the optional presence of a double bond. The novel compounds have been found to possess immunomodulating properties.

  本发明提供了具有以下式子的新型孕烷衍生物： 其中 X = F、Cl 或 Br；R₁ = F 或 Cl；R₂ = H(βOH) 或 O；R₃ = 烷基（1-4 C）；R₄ = 烷基（1-4 C）；虚线表示双键的任选存在。 这些新型化合物具有免疫调节特性。
• NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS
  申请人：Chen Chien-Hung

  公开号：US20120183600A1

  公开（公告）日：2012-07-19

  The invention relates to a composition that includes a first agent selected from the group consisting of an oxidative phosphorylation inhibitor, an ionophore, and an adenosine 5′-monophosphate-activated protein kinase (AMPK) activator; a second agent that possesses anti-inflammatory activity; and a third agent that possesses serotonin activity.
• US5192755A
  申请人：——

  公开号：US5192755A

  公开（公告）日：1993-03-09
• US8486922B2
  申请人：——

  公开号：US8486922B2

  公开（公告）日：2013-07-16
• [EN] METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS<br/>[FR] MÉTHODES DE TRAITEMENT DE TROUBLES COMPORTEMENTAUX ET/OU MENTAUX
  申请人：CHAU DAVID T

  公开号：WO2014176460A1

  公开（公告）日：2014-10-30

  One embodiment of an aspect of the present invention is a method for lessening the symptoms of mental and behavioral disorders including depressive disorders; bipolar disorders; anxiety disorders; obsessive-compulsive disorders; substance use disorder; trauma- and stressor-related disorders; and disruptive, impulsive-control, and conduct disorders comprising the step of administering a therapeutically effective quantity of a cholinergic M1 receptor antagonist and a therapeutically effective quantity of one or more cholinomimetic agents to lessen the symptoms of such mental and behavioral disorders. Typically, the cholinergic M1 receptor antagonist is selected from the group consisting of telenzepine, amytriptyline, biperiden, trihexyphenidyl, darifenacin, dicyclomine, and tiotropium. Another aspect of the present invention is directed to methods and compositions employing other therapeutic agents and combinations of therapeutic agents for emulating the theoretical pharmacological effects of the non-selective mAChR antagonist scopolamine. The invention also encompasses pharmaceutical compositions incorporating one or more therapeutic agents and a pharmaceutically acceptable carrier.