1,3,6-trimethoxy-paeciloquinone D methyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,3,6-trimethoxy-paeciloquinone D methyl ester
• 英文别名: Methyl 4-hydroxy-2-(8-hydroxy-1,3,6-trimethoxy-9,10-dioxoanthracen-2-yl)butanoate
• 化学式: C₂₂H₂₂O₉
• 分子量: 430.411
• InChiKey: XYKRTVSAZITNFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 paeciloquinone D 以 甲醇 、 乙醚 为溶剂， 反应 0.5h， 以1.7 mg的产率得到3,6,8-trimethoxy-paeciloquinone D methyl ester
  参考文献：
  名称：

  Paeciloquinones A,B,C,D,E and F: New Potent Inhibitors of Protein Tyrosine Kinase Produced by Paecilomyces carneus. II. Characterization and Structure Determination.

  摘要：

  Paeciloquinones A to F and versiconol have been isolated as inhibitors of protein tyrosine kinases from the culture broth of the fungus Paecilomyces carneus P-177. The structures of the new anthraquinones were determined by spectroscopic methods, mainly 1H NMR and 13C NMR. The substitution pattern was established by investigation of the respective methylated derivatives.

  DOI：

  10.7164/antibiotics.48.199

文献信息

• Paeciloquinones A,B,C,D,E and F: New Potent Inhibitors of Protein Tyrosine Kinase Produced by Paecilomyces carneus. II. Characterization and Structure Determination.
  作者：ANDREAS FREDENHAGEN、PAUL HUG、HANSPETER SAUTER、HEINRICH H. PETER

  DOI：10.7164/antibiotics.48.199

  日期：——

  Paeciloquinones A to F and versiconol have been isolated as inhibitors of protein tyrosine kinases from the culture broth of the fungus Paecilomyces carneus P-177. The structures of the new anthraquinones were determined by spectroscopic methods, mainly 1H NMR and 13C NMR. The substitution pattern was established by investigation of the respective methylated derivatives.