| 646031-66-5

• 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
• CAS: 646031-66-5
• 化学式: C₅₈H₁₁₅NO₁₀Si₄
• 分子量: 1098.89
• InChiKey: OUTRGBZETXGPJM-MQKLNHASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.0
• 重原子数：
  73.0
• 可旋转键数：
  29.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  156.0
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以73%的产率得到Carbamic acid (6Z,11Z)-(1S,2S,3R,4R,8S,9S,10S,13S)-3,9,13-trihydroxy-14-((2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxo-tetrahydro-pyran-2-yl)-4-hydroxymethyl-2,6,8,10-tetramethyl-1-((Z)-(S)-1-methyl-penta-2,4-dienyl)-tetradeca-6,11-dienyl ester
  参考文献：
  名称：

  Synthesis of novel discodermolide analogues with modified hydrogen-bonding donor/acceptor sites

  摘要：

  A series of novel structural analogues of the potent microtubule-stabilizing anticancer agent discodermolide were synthesised, with modifications in the C16-C20 region to create new oxygenated H-bonding donor/acceptor sites for tubulin binding. By starting from an advanced C9-C24 intermediate, fully synthetic discodermolide analogues, incorporating either an additional hydroxyl group 3, an oxetane 4 or a cyclic carbonate 5, were obtained in 10 or 11 steps by using a versatile aldol construction of the C6-C7 bond. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.172
• 作为产物：
  描述：

  在 (+)-β-chlorodiisopinocampheylborane 、 二异丁基氢化铝 、 戴斯-马丁氧化剂 、 溶剂黄146 、 三乙胺 、 tetramethylammonium triacetoxyborohydride 作用下， 以 乙醚 、 二氯甲烷 、 乙腈 为溶剂， 反应 23.0h， 生成
  参考文献：
  名称：

  Synthesis of novel discodermolide analogues with modified hydrogen-bonding donor/acceptor sites

  摘要：

  A series of novel structural analogues of the potent microtubule-stabilizing anticancer agent discodermolide were synthesised, with modifications in the C16-C20 region to create new oxygenated H-bonding donor/acceptor sites for tubulin binding. By starting from an advanced C9-C24 intermediate, fully synthetic discodermolide analogues, incorporating either an additional hydroxyl group 3, an oxetane 4 or a cyclic carbonate 5, were obtained in 10 or 11 steps by using a versatile aldol construction of the C6-C7 bond. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.172