4-[[3-Amino-6-(2,4,6-trimethylphenoxy)-2-pyridyl]amino]benzonitrile | 1191279-76-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[[3-Amino-6-(2,4,6-trimethylphenoxy)-2-pyridyl]amino]benzonitrile
• 英文别名: 4-[[3-amino-6-(2,4,6-trimethylphenoxy)pyridin-2-yl]amino]benzonitrile
• CAS: 1191279-76-1
• 化学式: C₂₁H₂₀N₄O
• 分子量: 344.416
• InChiKey: PMDLCCKDXIYZHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-cyanophenylamino)-6-(2,4,6-trimethylphenoxy)-3-nitropyridine 在 ammonium hydroxide 、 sodium dithionite 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 以41%的产率得到4-[[3-Amino-6-(2,4,6-trimethylphenoxy)-2-pyridyl]amino]benzonitrile
  参考文献：
  名称：

  Discovery of diarylpyridine derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors

  摘要：

  Two series (4 and 5) of diarylpyridine derivatives were designed, synthesized, and evaluated for anti-HIV-1 activity. The most promising compound, 5e, inhibited HIV-1 IIIB, NL4-3, and RTMDR1 with low nanomolar EC50 values and selectivity indexes of >10,000. The results of this study indicate that diarylpyridine can be used as a novel scaffold to derive a new class of potent NNRTIs, active against both wild-type and drug-resistant HIV-1 strains. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.080

文献信息

• Discovery of diarylpyridine derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors
  作者：Xingtao Tian、Bingjie Qin、Hong Lu、Weihong Lai、Shibo Jiang、Kuo-Hsiung Lee、Chin Ho Chen、Lan Xie

  DOI：10.1016/j.bmcl.2009.07.080

  日期：2009.9

  Two series (4 and 5) of diarylpyridine derivatives were designed, synthesized, and evaluated for anti-HIV-1 activity. The most promising compound, 5e, inhibited HIV-1 IIIB, NL4-3, and RTMDR1 with low nanomolar EC50 values and selectivity indexes of >10,000. The results of this study indicate that diarylpyridine can be used as a novel scaffold to derive a new class of potent NNRTIs, active against both wild-type and drug-resistant HIV-1 strains. (C) 2009 Elsevier Ltd. All rights reserved.