4-(4-chloro-2,6-dimethylphenoxy)-2-(4-chlorophenylamino)phthalazin-1(2H)-one | 1340595-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(4-chloro-2,6-dimethylphenoxy)-2-(4-chlorophenylamino)phthalazin-1(2H)-one
• 英文别名: 2-(4-Chloroanilino)-4-(4-chloro-2,6-dimethyl-phenoxy)phthalazin-1-one；2-(4-chloroanilino)-4-(4-chloro-2,6-dimethylphenoxy)phthalazin-1-one
• CAS: 1340595-80-3
• 化学式: C₂₂H₁₇Cl₂N₃O₂
• 分子量: 426.302
• InChiKey: NLCRKBJQOOYJFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,4-二氯酞嗪 在 copper(II) acetate monohydrate 、 sodium hydride 、 溶剂黄146 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 4-(4-chloro-2,6-dimethylphenoxy)-2-(4-chlorophenylamino)phthalazin-1(2H)-one
  参考文献：
  名称：

  Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs)

  摘要：

  In this Letter, we report on diarylpyridinone, diarylpyridazinone and diarylphthalazinone analogs as potential inhibitors of HIV-1 nonnucleoside reverse transcriptase (NNRTIs). The most promising compounds in these series are three diarylpyridazinones 25a, 25I and 25n which demonstrated submicromolar activity against wild-type HIV-1 and moderate activity against the single mutant strain Ba-L V106A. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.060

文献信息

• Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs)
  作者：Muthusamy Venkatraj、Kevin K. Ariën、Jan Heeres、Bertrand Dirié、Jurgen Joossens、Sebastiaan Van Goethem、Pieter Van der Veken、Johan Michiels、Christophe M.L. Vande Velde、Guido Vanham、Paul J. Lewi、Koen Augustyns

  DOI：10.1016/j.bmc.2011.08.060

  日期：2011.10

  In this Letter, we report on diarylpyridinone, diarylpyridazinone and diarylphthalazinone analogs as potential inhibitors of HIV-1 nonnucleoside reverse transcriptase (NNRTIs). The most promising compounds in these series are three diarylpyridazinones 25a, 25I and 25n which demonstrated submicromolar activity against wild-type HIV-1 and moderate activity against the single mutant strain Ba-L V106A. (C) 2011 Elsevier Ltd. All rights reserved.