(8R,9S,13S,14S,17S)-17-(4-羟基丁基氨基)-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-3-醇 | 150748-23-5

• 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
• 中文名称: (8R,9S,13S,14S,17S)-17-(4-羟基丁基氨基)-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-3-醇
• 英文名称: Butolame
• 英文别名: 17β-(-4-hydroxy-1-butylamino)-1,3,5(10)estratrien-3-ol；(8R,9S,13S,14S,17S)-17-(4-hydroxybutylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
• CAS: 150748-23-5
• 化学式: C₂₂H₃₃NO₂
• 分子量: 343.51
• InChiKey: AXFQQAQJYIXKGS-AANPDWTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  17β-(4-hydroxy-1-butylamino)-1,3,5(10),17(20)-estratetraen-3-ol 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以95%的产率得到(8R,9S,13S,14S,17S)-17-(4-羟基丁基氨基)-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-3-醇
  参考文献：
  名称：

  Anticoagulant and estrogenic effects of two new 17β-aminoestrogens, butolame [17β-(4-hydroxy-1-butylamino)-1, 3,5(10)-estratrien-3-ol] and pentolame [17β-(5-hydroxy-1-pentylamino)-1, 3,5(10)-estratrien-3-ol]

  摘要：

  The syntheses and characterizations of two new 17beta-aminoestrogens, butolame [17beta-(4-hydroxy-1-butylamino)-1,3,5(10)-estratrien-3-ol] and pentolame [17beta-(5-hydroxy-1-pentylamino)-1,3,5(10)-estratrien-3-ol], are presented. Both compounds, when administered in single subcutaneous injections to male mice and rats, produce dose-dependent increases in blood clotting times that may last several days. The estrogenic effects assessed by the vaginal cornification test are of relatively short duration.

  DOI：

  10.1016/0039-128x(93)90002-5

文献信息

• Anticoagulant and estrogenic effects of two new 17β-aminoestrogens, butolame [17β-(4-hydroxy-1-butylamino)-1, 3,5(10)-estratrien-3-ol] and pentolame [17β-(5-hydroxy-1-pentylamino)-1, 3,5(10)-estratrien-3-ol]
  作者：Cristina Lemini、Consuelo Rubio-Póo、Griselda Silva、Juana Garcia-Mondragon、Elvira Zavala、Nicandro Mendoza-Patiño、Dolores Castro、Raymundo Cruz-Almanza、Juan Jose Mandoki

  DOI：10.1016/0039-128x(93)90002-5

  日期：1993.10

  The syntheses and characterizations of two new 17beta-aminoestrogens, butolame [17beta-(4-hydroxy-1-butylamino)-1,3,5(10)-estratrien-3-ol] and pentolame [17beta-(5-hydroxy-1-pentylamino)-1,3,5(10)-estratrien-3-ol], are presented. Both compounds, when administered in single subcutaneous injections to male mice and rats, produce dose-dependent increases in blood clotting times that may last several days. The estrogenic effects assessed by the vaginal cornification test are of relatively short duration.