17β-Acetoxy-androsta-2.4-dieno<2.4-d>isoxazol | 60413-80-1

• 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-Acetoxy-androsta-2.4-dieno<2.4-d>isoxazol
• 英文别名: 17β-acetoxy-androst-4-eno[2,3-d]isoxazole；[(1S,2R,13R,14S,17S,18S)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl] acetate
• CAS: 60413-80-1
• 化学式: C₂₂H₂₉NO₃
• 分子量: 355.477
• InChiKey: UEGPYBRSXQPMTH-AUHDTZKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  17β-Acetoxy-androsta-2.4-dieno<2.4-d>isoxazol 在 N-溴代丁二酰亚胺(NBS) 、 sodium methylate 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 (2β,4β,5β,17β)-4,5-epoxy-17-hydroxy-3-oxoandrostane-2-carbonitrile
  参考文献：
  名称：

  Steroidogenesis inhibitors. 1. Adrenal inhibitory and interceptive activity of trilostane and related compounds

  摘要：

  Several methylated derivatives of trilostane were prepared. Methylation of C-4 or C-4 and C-17 changes this relatively selective adrenal inhibitor to compounds with increased ovarian/placental inhibitory activity with decreased adrenal inhibitory activity.

  DOI：

  10.1021/jm00373a021

文献信息

• Steroidal heterocycles. XIII. 4.alpha.,5-Epoxy-5.alpha.-androst-2-eno[2,3-d]isoxazoles and related compounds
  作者：H. C. Neumann、G. O. Potts、W. T. Ryan、F. W. Stonner

  DOI：10.1021/jm00299a034

  日期：1970.9
• Steroidogenesis inhibitors. 1. Adrenal inhibitory and interceptive activity of trilostane and related compounds
  作者：Rokbert G. Christiansen、Helmut C. Neumann、U. Joseph Salvador、Malcolm R. Bell、H. Philip Schane、John E. Creange、Gordon O. Potts、A. J. Anzalone

  DOI：10.1021/jm00373a021

  日期：1984.7

  Several methylated derivatives of trilostane were prepared. Methylation of C-4 or C-4 and C-17 changes this relatively selective adrenal inhibitor to compounds with increased ovarian/placental inhibitory activity with decreased adrenal inhibitory activity.