(3S,5R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-二甲基氮丙啶-2-基)丁烷-2-基]-4,4,10,13,14-五甲基-2,3,5,6,7,11,12,15,16,17-十氢-1H-环戊二烯并[a]菲-3-醇 | 104960-23-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: (3S,5R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-二甲基氮丙啶-2-基)丁烷-2-基]-4,4,10,13,14-五甲基-2,3,5,6,7,11,12,15,16,17-十氢-1H-环戊二烯并[a]菲-3-醇
• 中文别名: 24,25-亚胺戊环糖三联醇
• 英文名称: 24,25-(R,S)-epiminolanosterol
• 英文别名: 24(R,S),25-epiminolanosterol；24(R,S)-epiminolanosterol；24(25)-epiminolanosterol；24,25-epiminolanosterol；(3S,5R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-dimethylaziridin-2-yl)butan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 104960-23-8
• 化学式: C₃₀H₅₁NO
• 分子量: 441.741
• InChiKey: JDIKVIQXIGRCEN-JACZRFEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  42.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3S,5R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-二甲基氮丙啶-2-基)丁烷-2-基]-4,4,10,13,14-五甲基-2,3,5,6,7,11,12,15,16,17-十氢-1H-环戊二烯并[a]菲-3-醇 、 碘甲烷 在 sodium hydride 作用下， 生成 25-dimethylamino,3,24-dimethoxylanosterol
  参考文献：
  名称：

  Synthesis of a Rationally Designed Inhibitor of the (S)-Adenosyl-L-Methionine: △²⁴⁽²⁵⁾-Sterol Methyl Transferase

  摘要：

  A facile preparation of the first bisubstrate analog 4,4-dimethyl 14 alpha-methyl 24(R,S)-OMe, 25-dimethyl amino cholest-8-en-3 beta-ol 3 designed to interfere with the binding of (S)-adenosyl-L-methionine and of the natural sterol substrate to the (S)-adenosyl-L-methionine: Delta(24(25))-sterol methyl transferase is reported here. Confirmation of the identity of the novel side chain modified N-sterol was obtained by H-1- and C-13-NMR.

  DOI：

  10.1080/00397919508011808
• 作为产物：
  描述：

  羊毛甾醇 在 lithium aluminium tetrahydride 、 碘叠氮化物 作用下， 生成 (3S,5R,10S,13R,14R,17R)-17-[(2R)-4-(3,3-二甲基氮丙啶-2-基)丁烷-2-基]-4,4,10,13,14-五甲基-2,3,5,6,7,11,12,15,16,17-十氢-1H-环戊二烯并[a]菲-3-醇
  参考文献：
  名称：

  Parish, Edward J.; Nes, W. David, Synthetic Communications, 1988, vol. 18, # 2, p. 221 - 226

  摘要：

  DOI：

文献信息

• Thiomorpholino steroid compounds, the use thereof for the preparation of meiosis regulating medicaments and method for the preparation thereof
  申请人：Schering Aktiengesellschaft

  公开号：EP1514874A1

  公开（公告）日：2005-03-16

  The present invention relates to thiomorpholino steroid compounds of general formula I, which may advantageously be employed to stimulate meiosis in human oocytes, the steroid being specifically characterized by a thiomorpholino moiety bonded to C17 of the steroid skeleton via an alkylen spacer.

  本发明涉及通式 I 的硫代吗啉类固醇化合物，可用于刺激人类卵母细胞的减数分裂，该类固醇的具体特征是硫代吗啉分子通过烯基间隔键与类固醇骨架的 C17 键合。
• STEROID COMPOUNDS, USE OF THESE COMPOUNDS FOR THE PREPARATION OF MEIOSIS-REGULATING MEDICAMENTS AND METHOD FOR THE PREPARATION OF THESE COMPOUNDS
  申请人：Schering Aktiengesellschaft

  公开号：EP1401856A2

  公开（公告）日：2004-03-31
• THIOMORPHOLINO STEROID COMPOUNDS, THE USE THEREOF FOR THE PREPARATION OF MEIOSIS-REGULATING MEDICAMENTS AND METHOD FOR THE PREPARATION THEREOF
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1664079B1

  公开（公告）日：2008-04-30
• [EN] STEROID COMPOUNDS, USE OF THESE COMPOUNDS FOR THE PREPARATION OF MEIOSIS-REGULATING MEDICAMENTS AND METHOD FOR THE PREPARATION OF THESE COMPOUNDS<br/>[FR] COMPOSES STEROIDES, UTILISATION DE CES COMPOSES POUR LA PREPARATION DE MEDICAMENTS REGULANT LA MEIOSE ET PROCEDE DE PREPARATION DE CES COMPOSES
  申请人：SCHERING AG

  公开号：WO2002079220A2

  公开（公告）日：2002-10-10

  The present invention relates to steroid compounds of general formula X, which may advantageously be employed to stimulate meiosis in human oocytes, the steroid being specifically characterized by amino nitrogen bonded to C17 of the steroid skeleton via a spacer A.
• Synthesis of a Rationally Designed Inhibitor of the (S)-Adenosyl-L-Methionine: △²⁴⁽²⁵⁾-Sterol Methyl Transferase
  作者：De-an Guo、W. David Nes

  DOI：10.1080/00397919508011808

  日期：1995.9

  A facile preparation of the first bisubstrate analog 4,4-dimethyl 14 alpha-methyl 24(R,S)-OMe, 25-dimethyl amino cholest-8-en-3 beta-ol 3 designed to interfere with the binding of (S)-adenosyl-L-methionine and of the natural sterol substrate to the (S)-adenosyl-L-methionine: Delta(24(25))-sterol methyl transferase is reported here. Confirmation of the identity of the novel side chain modified N-sterol was obtained by H-1- and C-13-NMR.