(4bS,10bR)-3-methoxy-5,6,11,12,10b,4b-hexahydrochrysene-2,8-diol

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (4bS,10bR)-3-methoxy-5,6,11,12,10b,4b-hexahydrochrysene-2,8-diol
• 英文别名: (4bS,10bR)-3-methoxy-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol
• 化学式: C₁₉H₂₀O₃
• 分子量: 296.366
• InChiKey: JMUMFBQUSCZTNP-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4bS,10bR)-3-methoxy-5,6,11,12,10b,4b-hexahydrochrysene-2,8-diol 、 氯甲基甲基醚 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以88%的产率得到(4bS,10bR)-2,8-bis(methoxymethoxy)-3-methoxy-5,6,11,12,10b,4b-hexahydrochrysene
  参考文献：
  名称：

  Synthesis and antimitotic activity of novel 2-methoxyestradiol analogs. Part III

  摘要：

  The syntheses and antimitotic activity of several novel analogs of 2-methoxyestradiol are described. Structural modifications include ring-D homologation, aromatization of the six-membered ring-D to a chrysine type molecule, and introduction of unsaturation in five-membered ring-D along with substitution of alkyl and ethynyl groups for the 17 beta-hydroxy function. of nine analogs synthesized, five have demonstrated superior antiproliferative activities compared to 2-methoxyestradiol. (C) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2007.10.016
• 作为产物：
  描述：

  (4bS,10bR)-8-hydroxy-3-methoxy-5,6,11,12,10b,4b-hexahydrochrysen-2-yl acetate 在 甲醇 、 水 、 potassium carbonate 作用下， 反应 2.0h， 以88%的产率得到(4bS,10bR)-3-methoxy-5,6,11,12,10b,4b-hexahydrochrysene-2,8-diol
  参考文献：
  名称：

  WO2008/137599

  摘要：

  公开号：

文献信息

• WO2008/137599
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and antimitotic activity of novel 2-methoxyestradiol analogs. Part III
  作者：Pemmaraju N. Rao、James W. Cessac、James W. Boyd、Arthur D. Hanson、Jamshed Shah

  DOI：10.1016/j.steroids.2007.10.016

  日期：2008.2

  The syntheses and antimitotic activity of several novel analogs of 2-methoxyestradiol are described. Structural modifications include ring-D homologation, aromatization of the six-membered ring-D to a chrysine type molecule, and introduction of unsaturation in five-membered ring-D along with substitution of alkyl and ethynyl groups for the 17 beta-hydroxy function. of nine analogs synthesized, five have demonstrated superior antiproliferative activities compared to 2-methoxyestradiol. (C) 2007 Elsevier Inc. All rights reserved.