| 1340596-11-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1340596-11-3
• 化学式: C₁₃H₁₂N₄O₂
• 分子量: 256.264
• InChiKey: OLJWTWFWAYBVOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  93.93
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 3-氰基苯硼酸 在 copper(II) acetate monohydrate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以20%的产率得到4-(1-(3-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
• 作为产物：
  描述：

  3,5-dimethyl-4-(6-oxo-1,6-dihydropyridazin-3-yloxy)benzonitrile 在 sodium hydride 、 二苯基膦酰羟胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 25.0h， 生成
  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