17α-Carbomethoxyethynylestradiol | 24275-37-4

• 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: 17α-Carbomethoxyethynylestradiol
• CAS: 24275-37-4
• 化学式: C₂₂H₂₆O₄
• 分子量: 354.446
• InChiKey: PYSULHPWBUDRAJ-PIBZIWMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  26.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  66.76
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  17α-Carbomethoxyethynylestradiol 在 氨 作用下， 以 甲醇 为溶剂， 反应 7.0h， 生成 17α-Carboxamidoethynylestradiol
  参考文献：
  名称：

  Synthesis of some analogs of estradiol

  摘要：

  As part of a search for estradiol derivatives designed for conjugation to carboxyl or amine functions of anti-cancer agents or suitable derivatives thereof, estradiol analogs with side chains at the C-16 or -17 position were prepared for biological assay. These analogs include several which have a substituted nitrogenous function at C-17. The avidity of some of these analogs for binding to estrogen receptor was found to be of a low order.

  DOI：

  10.1016/0039-128x(85)90037-6
• 作为产物：
  描述：

  炔雌醇 在 盐酸 、 氢氧化钾 、 甲基锂 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 生成 17α-Carbomethoxyethynylestradiol
  参考文献：
  名称：

  Synthesis of some analogs of estradiol

  摘要：

  As part of a search for estradiol derivatives designed for conjugation to carboxyl or amine functions of anti-cancer agents or suitable derivatives thereof, estradiol analogs with side chains at the C-16 or -17 position were prepared for biological assay. These analogs include several which have a substituted nitrogenous function at C-17. The avidity of some of these analogs for binding to estrogen receptor was found to be of a low order.

  DOI：

  10.1016/0039-128x(85)90037-6