1-(3,4-dimethoxyphenyl)-3-[3-(2-chloroquinolinyl)]-2-propen-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(3,4-dimethoxyphenyl)-3-[3-(2-chloroquinolinyl)]-2-propen-1-one
• 英文别名: 3-(2-Chloroquinolin-3-yl)-1-(3,4-dimethoxyphenyl)-prop-2-en-1-one；(E)-3-(2-chloroquinolin-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• 化学式: C₂₀H₁₆ClNO₃
• 分子量: 353.805
• InChiKey: LKLJCPMWOOHEMD-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3,4-dimethoxyphenyl)-3-[3-(2-chloroquinolinyl)]-2-propen-1-one 、 丙二腈 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以75%的产率得到2-[1-(2-Chloro-quinolin-3-yl)-3-(3,4-dimethoxy-phenyl)-3-oxo-propyl]-malononitrile
  参考文献：
  名称：

  In vitro antifungal evaluation and structure–activity relationships of a new series of chalcone derivatives and synthetic analogues, with inhibitory properties against polymers of the fungal cell wall

  摘要：

  Here we report the synthesis, in vitro antifungal evaluation and SAR study of 41 chalcones and analogues. In addition, all active structures were tested for their capacity of inhibiting Saccharomyces cerevisiae beta (1,3)-glucan synthase and chitin synthase, enzymes that catalyze the synthesis of the major polymers of the fungal cell wall. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00116-x
• 作为产物：
  描述：

  2-氯-3-喹啉甲醛 、 3,4-二甲氧基苯乙酮 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以68%的产率得到1-(3,4-dimethoxyphenyl)-3-[3-(2-chloroquinolinyl)]-2-propen-1-one
  参考文献：
  名称：

  Li; Kenyon; Cohen, Journal of Medicinal Chemistry, 1995, vol. 38, # 26, p. 5031 - 5037

  摘要：

  DOI：

文献信息

• In vitro antifungal evaluation and structure–activity relationships of a new series of chalcone derivatives and synthetic analogues, with inhibitory properties against polymers of the fungal cell wall
  作者：Silvia N López、Marı́a V Castelli、Susana A Zacchino、José N Domı́nguez、Gricela Lobo、Jaime Charris-Charris、Juan C.G Cortés、Juan C Ribas、Cristina Devia、Ana M Rodrı́guez、Ricardo D Enriz

  DOI：10.1016/s0968-0896(01)00116-x

  日期：2001.8

  Here we report the synthesis, in vitro antifungal evaluation and SAR study of 41 chalcones and analogues. In addition, all active structures were tested for their capacity of inhibiting Saccharomyces cerevisiae beta (1,3)-glucan synthase and chitin synthase, enzymes that catalyze the synthesis of the major polymers of the fungal cell wall. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Li; Kenyon; Cohen, Journal of Medicinal Chemistry, 1995, vol. 38, # 26, p. 5031 - 5037
  作者：Li、Kenyon、Cohen、Chen、Gong、Dominguez、Davidson、Kurzban、Miller、Nuzum、Rosenthal、McKerrow

  DOI：——

  日期：——