2,7,8-Trimethyl-4-quinolinol | 60019-55-8

• 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: 2,7,8-Trimethyl-4-quinolinol
• 英文别名: 2,7,8-trimethyl-1H-quinolin-4-one
• CAS: 60019-55-8
• 化学式: C₁₂H₁₃NO
• mdl: MFCD02968777
• 分子量: 187.241
• InChiKey: UXTKZNADIFVKBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,7,8-Trimethyl-4-quinolinol 在 三氯氧磷 作用下， 反应 3.0h， 生成 4-氯-2,7,8-三甲基喹啉
  参考文献：
  名称：

  N 1-{4-[(10S)-Dihydroartemisinin-10-oxyl]}phenylmethylene-N 2-(2-methylquinoline-4-yl)hydrazine derivatives as antiplasmodial falcipain-2 inhibitors

  摘要：

  A series of N (1)-{4-[(10S)-dihydroartemisinin-10-oxyl]}phenylmethylene-N (2)-(2-methylquinoline-4-yl) hydrazine derivatives 9a-9n possessing 4-quinolylhydrazone and artemisinin cores were herein synthesized and evaluated for their activities against cysteine protease falcipain-2 of Plasmodium falciparum. The structures were clearly confirmed by elemental analysis, H-1 NMR, and mass spectra. The pharmacological results indicated that all compounds showed excellent activity against recombinant falcipain-2 (IC50 = 0.15-2.28 mu M). The best one of this series was compound 9d (IC50 = 0.15 mu M). The molecular docking results showed that the compound 9d made close contact with the key active site of cysteine protease falcipain-2.

  DOI：

  10.1007/s00044-011-9854-3
• 作为产物：
  描述：

  ethyl 3-(2,3-dimethylanilino)but-2-enoate 以 二苯醚 为溶剂， 反应 0.5h， 生成 2,7,8-Trimethyl-4-quinolinol
  参考文献：
  名称：

  N 1-{4-[(10S)-Dihydroartemisinin-10-oxyl]}phenylmethylene-N 2-(2-methylquinoline-4-yl)hydrazine derivatives as antiplasmodial falcipain-2 inhibitors

  摘要：

  A series of N (1)-{4-[(10S)-dihydroartemisinin-10-oxyl]}phenylmethylene-N (2)-(2-methylquinoline-4-yl) hydrazine derivatives 9a-9n possessing 4-quinolylhydrazone and artemisinin cores were herein synthesized and evaluated for their activities against cysteine protease falcipain-2 of Plasmodium falciparum. The structures were clearly confirmed by elemental analysis, H-1 NMR, and mass spectra. The pharmacological results indicated that all compounds showed excellent activity against recombinant falcipain-2 (IC50 = 0.15-2.28 mu M). The best one of this series was compound 9d (IC50 = 0.15 mu M). The molecular docking results showed that the compound 9d made close contact with the key active site of cysteine protease falcipain-2.

  DOI：

  10.1007/s00044-011-9854-3

文献信息

• ANTIVIRAL PHOSPHINATE COMPOUNDS
  申请人：Casarez Anthony

  公开号：US20110082112A1

  公开（公告）日：2011-04-07

  The invention is related to a method of treating disorders associated with hepatitis C by administering to an individual a pharmaceutical composition which comprises a therapeutically effective amount of an anti-viral phosphinate compound.

  本发明涉及一种通过向个体施用含有治疗有效量的抗病毒磷酸酯化合物的药物组合物来治疗与丙型肝炎相关的疾病的方法。
• ANTIVIRAL COMPOUNDS
  申请人：Cho Aesop

  公开号：US20120190866A1

  公开（公告）日：2012-07-26

  The invention is related to anti-viral compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及抗病毒化合物、含有这些化合物的组合物以及包括这些化合物的治疗方法，以及用于制备这些化合物的过程和中间体。
• Meyer, Emerson; Joussef, Antonio C.; Gallardo, Hugo, Synthesis, 2003, # 6, p. 899 - 905
  作者：Meyer, Emerson、Joussef, Antonio C.、Gallardo, Hugo

  DOI：——

  日期：——
• US8586744B2
  申请人：——

  公开号：US8586744B2

  公开（公告）日：2013-11-19
• US8809266B2
  申请人：——

  公开号：US8809266B2

  公开（公告）日：2014-08-19

表征谱图