1-[(2,5-Dimethoxyanilino)methylidene]-7-[8-[(2,5-dimethoxyanilino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 1-[(2,5-Dimethoxyanilino)methylidene]-7-[8-[(2,5-dimethoxyanilino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one
• 化学式: C₄₆H₄₈N₂O₁₀
• 分子量: 788.895
• InChiKey: JKUFNLRZNPQIOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  58
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  176
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  gossypol acetic acid 、 2,5-二甲氧基苯胺 以 乙醇 为溶剂， 反应 5.0h， 以89%的产率得到1-[(2,5-Dimethoxyanilino)methylidene]-7-[8-[(2,5-dimethoxyanilino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one
  参考文献：
  名称：

  Design, Synthesis, and Biological Activities of Aromatic Gossypol Schiff Base Derivatives

  摘要：

  A series of aromatic gossypol Schiff bases have been successfully synthesized via a feasible chemical modification. The antiviral activity against tobacco mosaic virus (TMV) of these gossypol Schiff bases has been tested for the first time. The bioassay studies indicated most of these derivatives exhibited excellent anti-TMV activity, in which o-trifluoromethylaniline Schiff base (19) displayed the best antiviral activities. Furthermore, compound 19 exhibited an eminent anti-TMV effect in the field and low toxicity to mice. These results suggest it is a promising candidate for the inhibitor of plant virus.

  DOI：

  10.1021/jf504411g

文献信息

• Design, Synthesis, and Biological Activities of Aromatic Gossypol Schiff Base Derivatives
  作者：Ling Li、Zheng Li、Kailiang Wang、Sheng Zhao、Jiming Feng、Jiarui Li、Peiwen Yang、Yuxiu Liu、Lizhong Wang、Yongqiang Li、Hui Shang、Qingmin Wang

  DOI：10.1021/jf504411g

  日期：2014.11.19

  A series of aromatic gossypol Schiff bases have been successfully synthesized via a feasible chemical modification. The antiviral activity against tobacco mosaic virus (TMV) of these gossypol Schiff bases has been tested for the first time. The bioassay studies indicated most of these derivatives exhibited excellent anti-TMV activity, in which o-trifluoromethylaniline Schiff base (19) displayed the best antiviral activities. Furthermore, compound 19 exhibited an eminent anti-TMV effect in the field and low toxicity to mice. These results suggest it is a promising candidate for the inhibitor of plant virus.