N,N-二去甲基乌利司他 | 244206-52-8

• 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
• 中文名称: N,N-二去甲基乌利司他
• 英文名称: 11β-(4-aminophenyl)-17α-hydroxy-19-norpregna-4,9-diene-3,20-dione
• 英文别名: N,N-Didesmethyl Ulipristal；(8S,11R,13S,14S,17R)-17-acetyl-11-(4-aminophenyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• CAS: 244206-52-8
• 化学式: C₂₆H₃₁NO₃
• 分子量: 405.537
• InChiKey: CJDRTMOCVGHUEO-RXDLHWJPSA-N

物化性质

• 沸点：
  643.9±55.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-二去甲基乌利司他 在 potassium hydrogencarbonate 、 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 CDB-3963
  参考文献：
  名称：

  Synthesis of N-desmethyl derivatives of 17α-acetoxy-11β- (4-N,N-dimethylaminophenyl)-19-norpregna-4,9-diene-3,20-dione and mifepristone1 Substrates for the synthesis of radioligands

  摘要：

  The syntheses of N-desmethyl derivatives of CDB-2914 and the mono-N-desmethyl derivative of Mifepristone are described. We also describe the use of the mono-desmethyl derivatives as substrates for the synthesis of N-tritomethyl derivatives of CDB-2914 and Mifepristone with high specific activity (ca. 80 Ci/mmol), which serve as radioligands for radioimmunoassay. (C) 1999 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(98)00086-5
• 作为产物：
  描述：

  3,3,20,20-bis(ethylene-dioxy)-17α-hydroxy-19-norpregna-5(10),9(11)-diene 在 硫酸 、 双氧水 、 氯化铵 、 magnesium 、 六氟丙酮 、 copper(l) chloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 N,N-二去甲基乌利司他
  参考文献：
  名称：

  Synthesis of N-desmethyl derivatives of 17α-acetoxy-11β- (4-N,N-dimethylaminophenyl)-19-norpregna-4,9-diene-3,20-dione and mifepristone1 Substrates for the synthesis of radioligands

  摘要：

  The syntheses of N-desmethyl derivatives of CDB-2914 and the mono-N-desmethyl derivative of Mifepristone are described. We also describe the use of the mono-desmethyl derivatives as substrates for the synthesis of N-tritomethyl derivatives of CDB-2914 and Mifepristone with high specific activity (ca. 80 Ci/mmol), which serve as radioligands for radioimmunoassay. (C) 1999 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(98)00086-5

文献信息

• Synthesis of N-desmethyl derivatives of 17α-acetoxy-11β- (4-N,N-dimethylaminophenyl)-19-norpregna-4,9-diene-3,20-dione and mifepristone1 Substrates for the synthesis of radioligands
  作者：P Rao

  DOI：10.1016/s0039-128x(98)00086-5

  日期：1999.3

  The syntheses of N-desmethyl derivatives of CDB-2914 and the mono-N-desmethyl derivative of Mifepristone are described. We also describe the use of the mono-desmethyl derivatives as substrates for the synthesis of N-tritomethyl derivatives of CDB-2914 and Mifepristone with high specific activity (ca. 80 Ci/mmol), which serve as radioligands for radioimmunoassay. (C) 1999 Elsevier Science Inc. All rights reserved.