(-)-4α-<2-(N,N-dimethylamino)ethoxy>stegane | 130436-07-6

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯
• 英文名称: (-)-4α-<2-(N,N-dimethylamino)ethoxy>stegane
• 英文别名: (-)-4α-[2-(N,N-dimethylamino)ethoxy]stegane；(9R,13R,14R)-14-[2-(dimethylamino)ethoxy]-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-10-one
• CAS: 130436-07-6
• 化学式: C₂₆H₃₁NO₈
• 分子量: 485.534
• InChiKey: DJKCTAXKLYEFJP-STSQHVNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.9
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (+/-)-steganol 、 N,N-二甲基乙醇胺 在 4 A molecular sieve 、 三氟化硼乙醚 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以23%的产率得到(-)-4α-<2-(N,N-dimethylamino)ethoxy>stegane
  参考文献：
  名称：

  Stereoselective reactions. XVII. Absolute structure-cytotoxic activity relationships of steganacin congeners and analogs

  摘要：

  The cytotoxic activities of optically pure and racemic steganacin congeners and analogues against KB cells in culture and the inhibitor activity of cilia regeneration in Tetrahymena were studied with regard to absolute and retative configurations. The stereochemical requirements of dibenzocyclooctadiene lignan lactones for activity were clarified.

  DOI：

  10.1021/jm00105a009

文献信息

• TOMIOKA, K.;ISHIGURO, T.;MIZUGUCHI, H., J. MED. CHEM., 34,(1991) N, C. 54-57
  作者：TOMIOKA, K.、ISHIGURO, T.、MIZUGUCHI, H.

  DOI：——

  日期：——
• Stereoselective reactions. XVII. Absolute structure-cytotoxic activity relationships of steganacin congeners and analogs
  作者：Kiyoshi Tomioka、Tsuneo Ishiguro、Hidemichi Mizuguchi、Nobuyasu Komeshima、Kenji Koga、Shigeru Tsukagoshi、Takashi Tsuruo、Tazuko Tashiro、Seiichi Tanida、Toyokazu Kishi

  DOI：10.1021/jm00105a009

  日期：1991.1

  The cytotoxic activities of optically pure and racemic steganacin congeners and analogues against KB cells in culture and the inhibitor activity of cilia regeneration in Tetrahymena were studied with regard to absolute and retative configurations. The stereochemical requirements of dibenzocyclooctadiene lignan lactones for activity were clarified.