(S)-1-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)pyrrolidine-2-carboxamide | 1394286-30-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (S)-1-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)pyrrolidine-2-carboxamide
• 英文别名: (2S)-1-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)pyrrolidine-2-carboxamide
• CAS: 1394286-30-6
• 化学式: C₂₄H₂₆N₂O₆
• 分子量: 438.48
• InChiKey: JKZWOENJPLMOKV-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-1-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)pyrrolidine-2-carboxamide 在 三乙胺 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以88%的产率得到(S)-1-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)pyrrolidine-2-carbonitrile
  参考文献：
  名称：

  Design, Synthesis, and Antiviral Activity Evaluation of Phenanthrene-Based Antofine Derivatives

  摘要：

  On the basis of our previous structure activity relationship (SAR) and antiviral mechanism studies, a series of phenanthrene-based antofine derivatives (1-12 and 18-50) were designed targeting tobacco mosaic virus (TMV) RNA and synthesized and systematically evaluated for their antiviral activity against TMV. The bioassay results showed that most of these compounds exhibited good to excellent in vivo anti-TMV activity, of which compounds 19 and 27 displayed higher activity than commercial Ribavirin, thus emerging as potential inhibitors of plant virus. The novel concise structure provides another new template for antiviral studies.

  DOI：

  10.1021/jf302746m
• 作为产物：
  描述：

  (S)-1-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)pyrrolidine-2-carboxylic acid methyl ester 在 水 、 氯甲酸乙酯 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.5h， 生成 (S)-1-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)pyrrolidine-2-carboxamide
  参考文献：
  名称：

  Design, Synthesis, and Antiviral Activity Evaluation of Phenanthrene-Based Antofine Derivatives

  摘要：

  On the basis of our previous structure activity relationship (SAR) and antiviral mechanism studies, a series of phenanthrene-based antofine derivatives (1-12 and 18-50) were designed targeting tobacco mosaic virus (TMV) RNA and synthesized and systematically evaluated for their antiviral activity against TMV. The bioassay results showed that most of these compounds exhibited good to excellent in vivo anti-TMV activity, of which compounds 19 and 27 displayed higher activity than commercial Ribavirin, thus emerging as potential inhibitors of plant virus. The novel concise structure provides another new template for antiviral studies.

  DOI：

  10.1021/jf302746m