| 1518769-85-1

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• CAS: 1518769-85-1
• 化学式: C₂₄H₂₈O₃Si
• 分子量: 392.57
• InChiKey: NBYIVMMBJDTOFT-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 10.5h， 生成 (R)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
  参考文献：
  名称：

  Aphadilactones A–D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant

  摘要：

  Aphadilactones A D (1-4), four diaster. eoisomers possessing an unprecedented carbon skeleton, were isolated from the Meliaceae plant Aphanamixis grandifolia. Their challenging structures and absolute configurations were determined by a combination of spectroscopic data, chemical degradation, fragment synthesis, experimental CD spectra, and ECD calculations. Aphadilactone C (3) with the 5S,11S,5'S,11'S configuration showed potent and selective inhibition against the diacylglycerol O-acyltransferase-1 (DGAT-1) enzyme (IC50 = 0.46 +/- 0.09 mu M, selectivity index >217) and is the strongest natural DGAT-1 inhibitor discovered to date. In addition, compounds 1-4 showed significant antimalarial activities with IC50 values of 190 +/- 60, 1350 +/- 150, 170 +/- 10, and 120 +/- 50 nM, respectively.

  DOI：

  10.1021/jo402340h
• 作为产物：
  描述：

  叔丁基二苯基氯硅烷 在 咪唑 、 4-二甲氨基吡啶 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.33h， 生成
  参考文献：
  名称：

  Aphadilactones A–D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant

  摘要：

  Aphadilactones A D (1-4), four diaster. eoisomers possessing an unprecedented carbon skeleton, were isolated from the Meliaceae plant Aphanamixis grandifolia. Their challenging structures and absolute configurations were determined by a combination of spectroscopic data, chemical degradation, fragment synthesis, experimental CD spectra, and ECD calculations. Aphadilactone C (3) with the 5S,11S,5'S,11'S configuration showed potent and selective inhibition against the diacylglycerol O-acyltransferase-1 (DGAT-1) enzyme (IC50 = 0.46 +/- 0.09 mu M, selectivity index >217) and is the strongest natural DGAT-1 inhibitor discovered to date. In addition, compounds 1-4 showed significant antimalarial activities with IC50 values of 190 +/- 60, 1350 +/- 150, 170 +/- 10, and 120 +/- 50 nM, respectively.

  DOI：

  10.1021/jo402340h