tert-Butyl-((3S,8R,9S,10R,13S,14S,17S)-17-cyclopropoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-dimethyl-silane | 173862-35-6

• 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: tert-Butyl-((3S,8R,9S,10R,13S,14S,17S)-17-cyclopropoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-dimethyl-silane
• 英文别名: tert-butyl-[[(3S,8R,9S,10R,13S,14S,17S)-17-cyclopropyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
• CAS: 173862-35-6
• 化学式: C₂₈H₄₈O₂Si
• 分子量: 444.773
• InChiKey: RWNZPAYXCOBPMV-ARZCWHKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.89
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-Butyl-((3S,8R,9S,10R,13S,14S,17S)-17-cyclopropoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-dimethyl-silane 在 四丁基氟化铵 作用下， 以65%的产率得到17β-(cyclopropyloxy)androst-5-en-3β-ol
  参考文献：
  名称：

  Time-dependent inactivation of steroid C17(20) lyase by 17β-cyclopropyl ether-substituted steroids

  摘要：

  Androstenes bearing a cyclopropyl group attached to the C-17 beta position with a heteroatom linker, designed as mechanism-based inhibitors of steroid C-17(20) lyase, were found to be potent, time-dependent inhibitors of this enzyme.

  DOI：

  10.1016/0960-894x(95)00566-c
• 作为产物：
  描述：

  3β-{[(1,1-dimethylethyl)dimethylsilyl]oxy}androst-5-en-17β-ol 在 mercury(II) diacetate 、 diethylzinc 作用下， 生成 tert-Butyl-((3S,8R,9S,10R,13S,14S,17S)-17-cyclopropoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-dimethyl-silane
  参考文献：
  名称：

  Time-dependent inactivation of steroid C17(20) lyase by 17β-cyclopropyl ether-substituted steroids

  摘要：

  Androstenes bearing a cyclopropyl group attached to the C-17 beta position with a heteroatom linker, designed as mechanism-based inhibitors of steroid C-17(20) lyase, were found to be potent, time-dependent inhibitors of this enzyme.

  DOI：

  10.1016/0960-894x(95)00566-c

文献信息

• ANGELASTRO, MICHAEL R.;BLOHM, THOMAS R.
  作者：ANGELASTRO, MICHAEL R.、BLOHM, THOMAS R.

  DOI：——

  日期：——
• Time-dependent inactivation of steroid C17(20) lyase by 17β-cyclopropyl ether-substituted steroids
  作者：Michael R. Angelastro、Angela L. Marquart、Philip M. Weintraub、Cynthia A. Gates、Marie E. Laughlin、Thomas R. Blohm、Norton P. Peet

  DOI：10.1016/0960-894x(95)00566-c

  日期：1996.1

  Androstenes bearing a cyclopropyl group attached to the C-17 beta position with a heteroatom linker, designed as mechanism-based inhibitors of steroid C-17(20) lyase, were found to be potent, time-dependent inhibitors of this enzyme.