11β-(p-hydroxyphenylacetoxy)-4-androstene-3,17-dione | 98537-19-0

• 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: 11β-(p-hydroxyphenylacetoxy)-4-androstene-3,17-dione
• CAS: 98537-19-0
• 化学式: C₂₇H₃₂O₅
• 分子量: 436.548
• InChiKey: YMBMDYFHWJBYST-CITPPIQZSA-N

物化性质

• 沸点：
  613.6±55.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  32.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  80.67
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  11β-(p-hydroxyphenylacetoxy)-4-androstene-3,17-dione 在 sodium iodide 、 chloroamine-T 作用下， 生成 (8S,9S,10R,11S,13S,14S)-10,13-dimethyl-3,17-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl 2-(4-hydroxy-3-(iodo-125I)phenyl)acetate
  参考文献：
  名称：

  A specific radioimmunoassay for androstenedione with reduced bridge-binding

  摘要：

  Antibody used in a steroid radioimmunoassay raised against a steroid hapten-carrier protein conjugate may recognize both the hapten and the chemical bridge to the protein. Use of the same bridge in the radio-isotopic label may lead to higher affinity binding to the label than to the native steroid. Inhibition curves under these conditions are shallow and generally not acceptable for radioimmunoassay procedures. We have developed a radioimmunoassay for androstenedione that employs different bridges at the 11 beta position of the steroid for the protein conjugate and label. The resulting assay has greatly reduced bridge-binding, has an acceptable slope for the standard curve and is very specific as evidenced by low crossreactivies to other steroids.

  DOI：

  10.1016/0039-128x(84)90009-6
• 作为产物：
  描述：

  4-雄烯-11β-醇-3,17-二酮 、 [2-(4-乙酰氧基苯基)乙酰基] 2-(4-乙酰氧基苯基)乙酸酯 在 碳酸氢钠 、 对甲苯磺酸 作用下， 生成 11β-(p-hydroxyphenylacetoxy)-4-androstene-3,17-dione
  参考文献：
  名称：

  A specific radioimmunoassay for androstenedione with reduced bridge-binding

  摘要：

  Antibody used in a steroid radioimmunoassay raised against a steroid hapten-carrier protein conjugate may recognize both the hapten and the chemical bridge to the protein. Use of the same bridge in the radio-isotopic label may lead to higher affinity binding to the label than to the native steroid. Inhibition curves under these conditions are shallow and generally not acceptable for radioimmunoassay procedures. We have developed a radioimmunoassay for androstenedione that employs different bridges at the 11 beta position of the steroid for the protein conjugate and label. The resulting assay has greatly reduced bridge-binding, has an acceptable slope for the standard curve and is very specific as evidenced by low crossreactivies to other steroids.

  DOI：

  10.1016/0039-128x(84)90009-6