16-Dehydro-pregnelon | 1162-53-4

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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-Dehydro-pregnelon
• 英文别名: Centatin；1-[(10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
• CAS: 1162-53-4；104010-41-5
• 化学式: C₂₁H₃₀O₂
• 分子量: 314.468
• InChiKey: YLFRRPUBVUAHSR-AKYPRQFMSA-N

物化性质

• 熔点：
  212-214 °C
• 沸点：
  456.6±45.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、DMSO（微溶）、甲醇（微溶、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• WGK Germany：
  3
• 安全说明：
  S22,S24/25
• 危险类别码：
  R20/22

制备方法与用途

用途

16-妊娠双烯醇酮是一种新型的降血脂药，可用于化学治疗药物的开发。

化学性质

16-妊娠双烯醇酮为白色或类白色的结晶性粉末，熔点在205-220℃之间。

文献信息

• VACCINE ADJUVANTS
  申请人：Cadila Pharmaceuticals Ltd.

  公开号：EP2337847B1

  公开（公告）日：2015-12-02
• METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION
  申请人：Andre Patrice

  公开号：US20100172870A1

  公开（公告）日：2010-07-08

  Uses, methods and compositions for modulating replication of viruses of the Flaviviridae family, such as hepatitis C virus, through the farnesoid X receptor (FXR) activation or inhibition. More specifically, the use of an antagonist of FXR or an inhibitor of expression thereof for the manufacture of a medicament intended for treating a Flaviviridae virus infection in a subject in need thereof. The use of antagonists of FXR, such as guggulsterone, or use of inhibitors of FXR expression. A cell culture system allowing the replication of HCV and to methods for diagnosing HCV infection, screening of anti-viral compounds and vaccine or viral protein production.
• US8647643B2
  申请人：——

  公开号：US8647643B2

  公开（公告）日：2014-02-11
• [EN] VACCINE ADJUVANTS<br/>[FR] ADJUVANTS POUR DES VACCINS
  申请人：CADILA PHARMACEUTICALS LTD

  公开号：WO2010035119A2

  公开（公告）日：2010-04-01

  The invention provides novel adjuvants and pharmaceutical composition comprising of an adjuvant alone. The invention also provides novel vaccine compositions comprising of an antigen and a novel adjuvant. The novel adjuvant as per present invention is farnesoid-X-receptor (FXR) antagonist. The invention also relates to an adjuvant for variety of antigens. The adjuvant improves antibody production specific to incorporated antigen. The adjuvant also induces cell mediated immune response.
• [EN] HYPOLIPAEMIC PHARMACEUTICAL COMPOSITIONS<br/>[FR] COMPOSITIONS PHARMACEUTIQUES HYPOLIPÉMIQUES
  申请人：CADILA PHARMACUETICALS LTD

  公开号：WO2010122407A2

  公开（公告）日：2010-10-28

  The present invention related to hypolipaemic pharmaceutical compositions comprising lipid lowering agents and BAR antagonist such as 3β-hydroxy pregna-5,16-dien-20-one (Herein known as 16 DP), Guggulsterones, 16 DP is also given a compound number 80/574.