beta-Scillarenin | 465-22-5

• 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: beta-Scillarenin
• 英文别名: 5-[(3S,8R,9S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
• CAS: 465-22-5
• 化学式: C₂₄H₃₂O₄
• 分子量: 384.5
• InChiKey: OVUOVMIMOCJILI-GDWHAHJOSA-N

物化性质

• 熔点：
  232-238°
• 比旋光度：
  D20 -16.8° (c = 0.357 in methanol); D20 +17.9° (c = 0.39 in chloroform)
• 沸点：
  572.6±50.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)
• 溶解度：
  轻微溶于吡啶

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Pancreatic cancer treatment using Na+/K+ ATPase inhibitors
  申请人：Khodadoust Mehran

  公开号：US20070105790A1

  公开（公告）日：2007-05-10

  The reagent, pharmaceutical formulation, kit, and methods of the invention provides a new approach for treating pancreatic cancers. The invention provides the use of Na + e/K + -ATPase inhibitors, such as cardiac glycosides (e.g. ouabain and proscillaridin, etc.), either alone or in combination with other standard therapeutic agents (chemo- or radio-therapies, etc.) for treating pancreatic cancers. The subject Na + /K + -ATPase inhibitors, such as cardiac glycosides, including bufadieneolides or their corresponding aglycones (e.g., proscillaridin, scillaren, and scillarenin, etc.), especially in oral formulations and/or solid dosage forms containing more than 1 mg of active ingredients.
• Combinatorial chemotherapy treatment using Na+/K+ ATPase inhibitors
  申请人：Khodadoust Mehran

  公开号：US20070105789A1

  公开（公告）日：2007-05-10

  The reagent, pharmaceutical formulation, kit, and methods of the invention provides a new approach to alleviate or eliminate certain negative effects associated with the use of certain cancer treatment agents (e.g. chemotherapy therapeutics, etc.) or regimens (e.g. radio therapies, etc.), including stimulation of the hypoxic stress response in tumor cells. The reagent and pharmaceutical formulation of the invention relates to Na + /K + -ATPase inhibitors, such as cardiac glycosides, including bufadieneolides or their corresponding aglycones (e.g., proscillaridin, scillaren, and scillarenin, etc.), especially in oral formulations and/or solid dosage forms containing more than 1 mg of active ingredients.
• Treatment of refractory cancers using Na+/K+-ATPase inhibitors
  申请人：Khodadoust Mehran

  公开号：US20080027010A1

  公开（公告）日：2008-01-31

  The reagent, pharmaceutical formulation, kit, and methods of the invention provides a new approach to treat refractory cancers using Na + /K + -ATPase inhibitors, such as cardiac glycosides, including bufadienolides or their corresponding aglycones (e.g., proscillaridin, scillaren, and scillarenin, etc.), especially in oral formulations and/or solid dosage forms containing more than 1 mg of active ingredients.
• US7790905B2
  申请人：——

  公开号：US7790905B2

  公开（公告）日：2010-09-07
• US7927613B2
  申请人：——

  公开号：US7927613B2

  公开（公告）日：2011-04-19