2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile
• 化学式: C₃₃H₂₂F₃N₅O
• 分子量: 561.566
• InChiKey: LPWIZSKSAKBHAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  42
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  96.8
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-氯-7-三氟甲基喹啉 在 盐酸 、 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile
  参考文献：
  名称：

  3-Cyano-4,6-disubstituted-2(1H)-imino or oxopyridines: New Antineoplastic Agents with High Selectivity Towards Leukemia Cell Lines

  摘要：

  Two series of 3-cyano-2(1H)-oxopyridine and 3-cyano-2(1H)-iminopyridine derivatives carrying various aryl substituents at position 4 and (4-((7-chloro or trifluoromethylquinol-4-yl)amino)phenyl) substituent at position 6 were synthesized and evaluated for their antitumor activity. Compounds 3f and 6d showed high selectivity towards leukemia cell lines with full panel median growth inhibition GI(50) average sensitivity towards all cell lines (MG-MID) at 7.9 and 19.7 mu M and leukemia subpanel GI(50) average sensitivity towards leukemia cell lines (MG-MLD) at 1.74 and 2.9 mu M, respectively, also they exhibited full panel total growth inhibition TGI (MG-MID) at 34.8 and 59.0 mu M and leukemia subpanel TGI (MG-MID) at 5.3 and 13.5 mu M, respectively.

  DOI：

  10.1002/(sici)1521-4184(199810)331:10<319::aid-ardp319>3.3.co;2-m

文献信息

• 3-Cyano-4,6-disubstituted-2(1H)-imino or oxopyridines: New Antineoplastic Agents with High Selectivity Towards Leukemia Cell Lines
  作者：A. H. Abadi、H. A. Al-Khamees

  DOI：10.1002/(sici)1521-4184(199810)331:10<319::aid-ardp319>3.3.co;2-m

  日期：1998.10

  Two series of 3-cyano-2(1H)-oxopyridine and 3-cyano-2(1H)-iminopyridine derivatives carrying various aryl substituents at position 4 and (4-((7-chloro or trifluoromethylquinol-4-yl)amino)phenyl) substituent at position 6 were synthesized and evaluated for their antitumor activity. Compounds 3f and 6d showed high selectivity towards leukemia cell lines with full panel median growth inhibition GI(50) average sensitivity towards all cell lines (MG-MID) at 7.9 and 19.7 mu M and leukemia subpanel GI(50) average sensitivity towards leukemia cell lines (MG-MLD) at 1.74 and 2.9 mu M, respectively, also they exhibited full panel total growth inhibition TGI (MG-MID) at 34.8 and 59.0 mu M and leukemia subpanel TGI (MG-MID) at 5.3 and 13.5 mu M, respectively.