19-(Ethylcarboxymethoxyl)-4-androstene-3,17-dione | 79524-42-8

• 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: 19-(Ethylcarboxymethoxyl)-4-androstene-3,17-dione
• CAS: 79524-42-8
• 化学式: C₂₃H₃₂O₅
• 分子量: 388.504
• InChiKey: VCNCDNWYQFYLQV-CTOYRMGLSA-N

物化性质

• 沸点：
  543.0±50.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  19-(Ethylcarboxymethoxyl)-4-androstene-3,17-dione 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 以94%的产率得到2-[[(10S,13S)-13-甲基-3,17-二氧代-2,6,7,8,9,11,12,14,15,16-十氢-1H-环戊并[a]菲-10-基]甲氧基]乙酸
  参考文献：
  名称：

  A chemical approach to solving bridging phenomena in steroid radioimmunoassays

  摘要：

  Steroid radioimmunoassays (RIA) employ antibodies raised against a carrier protein-steroid conjugate. Individual antibodies may recognize the steroid, the protein or the chemical bridge used to join them together. Use of the same bridge in the tracer results in higher affinity binding of the tracer than the native ligand which in turn results in a loss of sensitivity and precision. We have greatly reduced bridge-binding in a RIA for androstenedione. Conjugates and radioiodinated labels were prepared with either an ester or either chemical bridge. By using an antibody and the corresponding label with the heterologous bridge very sensitive assays were obtained.

  DOI：

  10.1016/0039-128x(81)90030-1
• 作为产物：
  描述：

  重氮乙酸乙酯 、 19-羟基雄甾-4-烯-3,17-二酮 在 dirhodium tetraacetate 作用下， 以 苯 为溶剂， 反应 0.5h， 以24%的产率得到19-(Ethylcarboxymethoxyl)-4-androstene-3,17-dione
  参考文献：
  名称：

  A chemical approach to solving bridging phenomena in steroid radioimmunoassays

  摘要：

  Steroid radioimmunoassays (RIA) employ antibodies raised against a carrier protein-steroid conjugate. Individual antibodies may recognize the steroid, the protein or the chemical bridge used to join them together. Use of the same bridge in the tracer results in higher affinity binding of the tracer than the native ligand which in turn results in a loss of sensitivity and precision. We have greatly reduced bridge-binding in a RIA for androstenedione. Conjugates and radioiodinated labels were prepared with either an ester or either chemical bridge. By using an antibody and the corresponding label with the heterologous bridge very sensitive assays were obtained.

  DOI：

  10.1016/0039-128x(81)90030-1