4-(1-(4-cyanophenylamino)-6-oxo-1,6-dihydropyridazin-3-yloxy)-3,5-dimethylbenzonitrile | 1340595-72-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1-(4-cyanophenylamino)-6-oxo-1,6-dihydropyridazin-3-yloxy)-3,5-dimethylbenzonitrile
• 英文别名: 4-[1-(4-Cyanoanilino)-6-oxo-pyridazin-3-yl]oxy-3,5-dimethyl-benzonitrile；4-[1-(4-cyanoanilino)-6-oxopyridazin-3-yl]oxy-3,5-dimethylbenzonitrile
• CAS: 1340595-72-3
• 化学式: C₂₀H₁₅N₅O₂
• 分子量: 357.371
• InChiKey: RTKSRRXWHFUBSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,5-二甲基-4-羟基苯甲腈 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 37.0h， 生成 4-(1-(4-cyanophenylamino)-6-oxo-1,6-dihydropyridazin-3-yloxy)-3,5-dimethylbenzonitrile
  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.