7β-hydroxyestradiol | 2487-46-9

• 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: 7β-hydroxyestradiol
• 英文别名: Estratriene-3,7beta,17beta-triol；3,7β,17β-trihydroxyandrost-1,3,5(10)-triene；(7S,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
• CAS: 2487-46-9
• 化学式: C₁₈H₂₄O₃
• 分子量: 288.387
• InChiKey: CQPNIWHVQNCXHA-CJNLHWCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7β-hydroxyestradiol 在 吡啶 、 氢氧化钾 、 pyridine-SO3 complex 作用下， 生成 potassium estra-1,3,5(10)-triene-3,7β,17β-triol 17-sulfate 、 potassium estra-1,3,5(10)-triene-3,7β,17β-triol 7-sulfate 、 potassium estra-1,3,5(10)-trien-3,7β,17β-triol 7,17-disulfate
  参考文献：
  名称：

  6-和7-羟基雌二醇17-硫酸盐的合成：雌性大鼠肝微粒体对雌二醇17-硫酸盐的潜在代谢物

  摘要：

  雌性大鼠肝微粒体的雌二醇 17-硫酸酯 (1) 的潜在环 B 羟基化代谢物被化学制备为真实化合物。它们是 6alpha-和 6beta-hydroxyestradiol 17-sulfates（7 和 9），以及 7alpha-和 7beta-hydroxyestradiol 17-sulfates（12 和 16），它们的合成程序在描述中。

  DOI：

  10.1016/s0039-128x(99)00011-2

文献信息

• NEUROPROTECTIVE 7-BETA-HYDROXYSTEROIDS
  申请人：Hunter-Fleming Limited

  公开号：EP1294381B1

  公开（公告）日：2005-08-31
• PROPHYLACTIC AND THERAPEUTIC USE OF HYDROXYSTEROIDS
  申请人：Hunter-Fleming Limited

  公开号：EP1416937A1

  公开（公告）日：2004-05-12
• Neuroprotective 7-beta-hydroxysteroids
  申请人：——

  公开号：US20030186953A1

  公开（公告）日：2003-10-02

  3-Hydroxy-7&bgr; hydroxy steroids and 3-oxo-7&bgr;-hydroxy steroids and pharmaceutically acceptable esters thereof were useful for protection against neuronal damage.
• Phophylactic and therapeutic use of hydroxysteroids
  申请人：——

  公开号：US20040248868A1

  公开（公告）日：2004-12-09

  3-Hydroxy-7-hydroxy steroids and 3-oxo-7-hydroxy steroids, especially the 7&bgr;-isomers thereof, and pharmaceutically acceptable esters thereof are useful for protection against ischaemia-induced damage to peripheral organs, such as the heart or kidneys, as well as treatment of spiral cord injury.
• MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS
  申请人：Wülfert Ernst

  公开号：US20100137270A1

  公开（公告）日：2010-06-03

  A variety of diseases and disorders associated with the metabolic pathways involved in the activities of cyclooxygenase and the synthesis of prostaglandins, for example type 2 diabetes mellitus and its sequelae, ischemic vascular diseases, pain associated with inflammation, inflammatory skin conditions, spinal cord injury, peripheral neuropathy, multiple sclerosis, inflammatory bowel disease and rheumatoid arthritis, as well as various types of cancer may be treated or prevented by the use of an agent which selectively enhances production of 15-deoxy-prostaglandin J2.