3α,7α,12α-trihydroxy-5β-cholan-24-al | 6542-40-1

• 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: 3α,7α,12α-trihydroxy-5β-cholan-24-al
• 英文别名: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-al；(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanal
• CAS: 6542-40-1
• 化学式: C₂₄H₄₀O₄
• 分子量: 392.579
• InChiKey: ZYUGWIRQWCNRJP-YHEMGIGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3α,7α,12α-trihydroxy-5β-cholan-24-al 在 platinum(IV) oxide 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 (3a,5b,7a,12a)-3,7,12-三羟基-胆甾烷-26-酸
  参考文献：
  名称：

  Okuda; Danielsson, Acta Chemica Scandinavica (1947), 1965, vol. 19, # 9, p. 2160 - 2165

  摘要：

  DOI：

文献信息

• [EN] FERROCENE-BASED COMPOUNDS AND THEIR USE AS ROS REGULATING PRODRUGS<br/>[FR] COMPOSÉS À BASE DE FERROCÈNE ET LEUR UTILISATION COMME PROMÉDICAMENTS RÉGULANT LES ESPÈCES RÉACTIVES DE L'OXYGÈNE (ROS)
  申请人：UNIV RUPRECHT KARLS HEIDELBERG

  公开号：WO2012123076A1

  公开（公告）日：2012-09-20

  The present invention relates to ferrocene-based compounds and their use as ROS (reactive oxygen species) regulating prodrugs. In particular, the present invention relates to ferrocene-based compounds which upon activation react as ROS regulating prodrugs which increase oxidative stress in cells.

  本发明涉及基于二茂铁的化合物及其作为活性氧（ROS，反应性氧种）调节前药的使用。特别是，本发明涉及在激活时作为增加细胞氧化应激的ROS调节前药的基于二茂铁的化合物。
• Ferrocene-based compounds and their use as ROS regulating prodrugs
  申请人：Ruprecht-Karls-Universität Heidelberg

  公开号：EP2497775A1

  公开（公告）日：2012-09-12

  The present invention relates to ferrocene-based compounds and their use as ROS (reactive oxygen species) regulating prodrugs. In particular, the present invention relates to ferrocene-based compounds which upon activation react as ROS regulating prodrugs which increase oxidative stress in cells.

  本发明涉及基于二茂铁的化合物及其作为ROS（活性氧化物种）调节前药的用途。特别地，本发明涉及基于二茂铁的化合物，其在激活后作为ROS调节前药反应，增加细胞内的氧化应激。
• Kuramoto, Taiju; Noma, Yukio; Hoshita, Takahiko, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 4, p. 1330 - 1334
  作者：Kuramoto, Taiju、Noma, Yukio、Hoshita, Takahiko

  DOI：——

  日期：——
• Polyhydroxylated Bile Acids for Treatment of Biliary Disorders
  申请人：Wang Renxue

  公开号：US20110263546A1

  公开（公告）日：2011-10-27

  The invention provides, in part, polyhydroxylated bile acids for treating biliary disorders, for example, biliary disorders arising out of cholestasis or portal hypertension. The invention also provides, in part, polyhydroxylated bile acids for stimulating bile flow.
• POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS
  申请人：LING VICTOR

  公开号：US20120277198A1

  公开（公告）日：2012-11-01

  The invention provides, in part, polyhydroxylated bile acids for treating biliary disorders, for example, biliary disorders arising out of cholestasis of portal hypertension. The invention also provides, in part, polyhydroxylated bile acids for stimulating bile flow. New compounds 2α,3α,7α,12α-tetrahydroxy-5β-cholanoic acid and 3α.4α,7α,12α-tetrahydroxy-5β-cholanoic acid are disclosed, uses thereof and synthesis thereof.