7-(trifluoromethyl)-4-(quinoline-8-sulfonyl)-3,4-dihydroquinoxalin-2(1H)-one | 1147012-86-9

• 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: 7-(trifluoromethyl)-4-(quinoline-8-sulfonyl)-3,4-dihydroquinoxalin-2(1H)-one
• 英文别名: 4-(8-Quinolylsulfonyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one；4-quinolin-8-ylsulfonyl-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
• CAS: 1147012-86-9
• 化学式: C₁₈H₁₂F₃N₃O₃S
• 分子量: 407.373
• InChiKey: JXUMFGLXJQPGSQ-UHFFFAOYSA-N

物化性质

• 熔点：
  205-206 °C
• 密度：
  1.520±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  喹啉-8-磺酰氯 、 7-(三氟甲基)-3,4-二氢-1H-喹喔啉-2-酮 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以97%的产率得到7-(trifluoromethyl)-4-(quinoline-8-sulfonyl)-3,4-dihydroquinoxalin-2(1H)-one
  参考文献：
  名称：

  Synthesis and biological evaluation of N4-(hetero)arylsulfonylquinoxalinones as HIV-1 reverse transcriptase inhibitors

  摘要：

  A series of novel N-4-(hetero) arylsulfonylquinoxalinone derivatives were prepared in a straight and efficient way. Of all the synthesized compounds, five compounds exhibited potent anti-HIV-1 replication activities with IC50 value at the level of 10(-7) mol/L. Preliminary structure-activity relationships were studied in details and that will shed light on the discovery of more potent non-nucleoside reverse-transcriptase inhibitors. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.02.039

文献信息

• Synthesis and biological evaluation of N4-(hetero)arylsulfonylquinoxalinones as HIV-1 reverse transcriptase inhibitors
  作者：Bailing Xu、Yan Sun、Ying Guo、Yingli Cao、Tao Yu

  DOI：10.1016/j.bmc.2009.02.039

  日期：2009.4

  A series of novel N-4-(hetero) arylsulfonylquinoxalinone derivatives were prepared in a straight and efficient way. Of all the synthesized compounds, five compounds exhibited potent anti-HIV-1 replication activities with IC50 value at the level of 10(-7) mol/L. Preliminary structure-activity relationships were studied in details and that will shed light on the discovery of more potent non-nucleoside reverse-transcriptase inhibitors. (c) 2009 Elsevier Ltd. All rights reserved.