8-methoxy-3-((5-(methoxymethoxy)naphthalen-1-yl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)naphthalen-1-yl acetate | 1620648-63-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 8-methoxy-3-((5-(methoxymethoxy)naphthalen-1-yl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)naphthalen-1-yl acetate
• CAS: 1620648-63-6
• 化学式: C₂₆H₂₁F₃O₉S
• 分子量: 566.509
• InChiKey: DEQHRIJIACUIOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 重原子数：
  39.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  106.59
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  8-methoxy-3-((5-(methoxymethoxy)naphthalen-1-yl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)naphthalen-1-yl acetate 在 吡啶 、 四(三苯基膦)钯 、 sodium dithionite 、 四溴化碳 、 sodium acetate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三苯基膦 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.84h， 生成 11-hydroxy-4-methoxydinaphtho[1,2-b:1',2'-d]furan-5,8-diyl diacetate
  参考文献：
  名称：

  Xylarianaphthol-1, a novel dinaphthofuran derivative, activates p21 promoter in a p53-independent manner

  摘要：

  Xylarianaphthol-1, a novel dinaphthofuran derivative, was isolated from a marine sponge-derived fungus of order Xylariales on the guidance of a bioassay using the transfected human osteosarcoma MG63 cells (MG63(luc+)). The chemical structure of xylarianaphthol-1 was determined from the H-1 and C-13 NMR analysis and was further confirmed by the total synthesis. Xylarianaphthol-1 activated p21 promoter stably transfected in MG63 cells dose-dependently. Expression of p21 protein in the wild-type MG63 cells was also increased by xylarianaphthol-1 treatment. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.083
• 作为产物：
  描述：

  5-(methoxymethoxy)naphthalen-1-ol 在 2,6-二甲基吡啶 、 sodium dithionite 、 potassium carbonate 作用下， 以 吡啶 、 二氯甲烷 、 水 、 二甲基亚砜 、 乙腈 为溶剂， 反应 3.75h， 生成 8-methoxy-3-((5-(methoxymethoxy)naphthalen-1-yl)oxy)-4-(((trifluoromethyl)sulfonyl)oxy)naphthalen-1-yl acetate
  参考文献：
  名称：

  Xylarianaphthol-1, a novel dinaphthofuran derivative, activates p21 promoter in a p53-independent manner

  摘要：

  Xylarianaphthol-1, a novel dinaphthofuran derivative, was isolated from a marine sponge-derived fungus of order Xylariales on the guidance of a bioassay using the transfected human osteosarcoma MG63 cells (MG63(luc+)). The chemical structure of xylarianaphthol-1 was determined from the H-1 and C-13 NMR analysis and was further confirmed by the total synthesis. Xylarianaphthol-1 activated p21 promoter stably transfected in MG63 cells dose-dependently. Expression of p21 protein in the wild-type MG63 cells was also increased by xylarianaphthol-1 treatment. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.083