(3R,4R,5S,6R,9S,10S,12R)-12-((tert-butyldimethylsilyl)oxy)-6-(((3,4-dimethoxybenzyl)oxy)methoxy)-10-methoxy-3,5,9-trimethyl-14-oxo-1-(trityloxy)tetradecan-4-yl acetate | 1361130-34-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (3R,4R,5S,6R,9S,10S,12R)-12-((tert-butyldimethylsilyl)oxy)-6-(((3,4-dimethoxybenzyl)oxy)methoxy)-10-methoxy-3,5,9-trimethyl-14-oxo-1-(trityloxy)tetradecan-4-yl acetate
• CAS: 1361130-34-8
• 化学式: C₅₅H₇₈O₁₀Si
• 分子量: 927.304
• InChiKey: HUCDBFGXNQWTGZ-UOWRAANOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.97
• 重原子数：
  66.0
• 可旋转键数：
  29.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  107.98
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (3R,4R,5S,6R,9S,10S,12R)-12-((tert-butyldimethylsilyl)oxy)-6-(((3,4-dimethoxybenzyl)oxy)methoxy)-10-methoxy-3,5,9-trimethyl-14-oxo-1-(trityloxy)tetradecan-4-yl acetate 在 chromium dichloride 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 18.15h， 生成
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluations of Aplyronine A–Mycalolide B Hybrid Compound

  摘要：

  A hybrid compound consisting of aplyronine A and mycalolide B was synthesized, and its biological activities were evaluated. The hybrid compound was found to have somewhat more potent actin-depolymerizing activity than aplyronine A. In contrast, the hybrid compound possessed about 1000-fold less cytotoxicity than aplyronine A. These results indicated that there is no direct correlation between actin-depolymerizing activity and cytotoxicity.

  DOI：

  10.1021/ol300182r
• 作为产物：
  描述：

  (2R,3S,5S)-5,7-bis((tert-butyldimethylsilyl)oxy)-3-methoxy-2-methylheptanal 在 吡啶 、 chromium dichloride 、 氟化铵 、 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 、 C₁₇H₂₆N₂O₆S 、 palladium 10% on activated carbon 、 氢气 、 戴斯-马丁氧化剂 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 91.15h， 生成 (3R,4R,5S,6R,9S,10S,12R)-12-((tert-butyldimethylsilyl)oxy)-6-(((3,4-dimethoxybenzyl)oxy)methoxy)-10-methoxy-3,5,9-trimethyl-14-oxo-1-(trityloxy)tetradecan-4-yl acetate
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluations of Aplyronine A–Mycalolide B Hybrid Compound

  摘要：

  A hybrid compound consisting of aplyronine A and mycalolide B was synthesized, and its biological activities were evaluated. The hybrid compound was found to have somewhat more potent actin-depolymerizing activity than aplyronine A. In contrast, the hybrid compound possessed about 1000-fold less cytotoxicity than aplyronine A. These results indicated that there is no direct correlation between actin-depolymerizing activity and cytotoxicity.

  DOI：

  10.1021/ol300182r