17β-(5'-carboxypentyl)oxy-5α-androstan-3-one n-butyl amide | 139026-77-0

• 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: 17β-(5'-carboxypentyl)oxy-5α-androstan-3-one n-butyl amide
• 英文别名: N-butyl-6-[[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]hexanamide
• CAS: 139026-77-0
• 化学式: C₂₉H₄₉NO₃
• 分子量: 459.713
• InChiKey: OAMVUDBFYSTJFI-PHRFVZNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-氯-1-己醇 在 盐酸 、 jones reagent 、 草酰氯 、 对甲苯磺酸 、 sodium amide 、 丙酮 作用下， 以 乙醚 、 苯 为溶剂， 反应 31.33h， 生成 17β-(5'-carboxypentyl)oxy-5α-androstan-3-one n-butyl amide
  参考文献：
  名称：

  Dihydrotestosterone derivatives: relative binding affinity versus affinity purification

  摘要：

  Mono esters of a homologous series of diacids of dihydrotestosterone were synthesized and converted to the corresponding n-butyl amides. The relative binding affinities of these amides to androgen receptor were compared with the degree of purification of rat prostate androgen receptor by affinity columns prepared by linking the steroidal acid to amino Sepharose. There was good correlation between binding of the amide model to androgen receptor and the extent of purification by the affinity resin.

  DOI：

  10.1016/0039-128x(91)90020-v

文献信息

• Dihydrotestosterone derivatives: relative binding affinity versus affinity purification
  作者：Mark E. Stobaugh、Robert T. Blickenstaff

  DOI：10.1016/0039-128x(91)90020-v

  日期：1991.12

  Mono esters of a homologous series of diacids of dihydrotestosterone were synthesized and converted to the corresponding n-butyl amides. The relative binding affinities of these amides to androgen receptor were compared with the degree of purification of rat prostate androgen receptor by affinity columns prepared by linking the steroidal acid to amino Sepharose. There was good correlation between binding of the amide model to androgen receptor and the extent of purification by the affinity resin.