3-[(3,4-Dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

• 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: 3-[(3,4-Dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
• 化学式: C₁₇H₁₀Cl₂F₃N₃O₂
• 分子量: 416.187
• InChiKey: LMUHFEAYMZYYDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  75.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-氯-6-(三氟甲基)喹喔啉-2-羧酸乙酯 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 3-[(3,4-Dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
  参考文献：
  名称：

  Quinoxaline chemistry. Part 13: 3-carboxy-2-benzylamino-substituted quinoxalines and N-[4-[(3-carboxyquinoxalin-2-yl) aminomethyl]benzoyl]-l-glutamates: synthesis and evaluation of in vitro anticancer activity

  摘要：

  Among a new series of 28 3-carboxy or carbethoxy quinoxalines bearing a substituted benzylamino or N-[4-(aminomethyl)benzoyl]glutamate group on position 2 of the ring and various substituents at C-6, 7 positions, 21 were selected at the National Cancer Institute for evaluation of their in vitro anticancer activity. The results obtained seem to confirm that the carboxy or carbethoxy group on position 3 is not helpful, with a few exceptions, for the anticancer activity. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00119-6

文献信息

• Quinoxaline chemistry. Part 13: 3-carboxy-2-benzylamino-substituted quinoxalines and N-[4-[(3-carboxyquinoxalin-2-yl) aminomethyl]benzoyl]-l-glutamates: synthesis and evaluation of in vitro anticancer activity
  作者：Paola Corona、Gabriella Vitale、Mario Loriga、Giuseppe Paglietti

  DOI：10.1016/s0014-827x(99)00119-6

  日期：2000.2

  Among a new series of 28 3-carboxy or carbethoxy quinoxalines bearing a substituted benzylamino or N-[4-(aminomethyl)benzoyl]glutamate group on position 2 of the ring and various substituents at C-6, 7 positions, 21 were selected at the National Cancer Institute for evaluation of their in vitro anticancer activity. The results obtained seem to confirm that the carboxy or carbethoxy group on position 3 is not helpful, with a few exceptions, for the anticancer activity. (C) 2000 Elsevier Science S.A. All rights reserved.