3-isopropyl-3H-benzo[b]imidazo[4,5-g][1,8]naphthyridin-10(5H)-one

• 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: 3-isopropyl-3H-benzo[b]imidazo[4,5-g][1,8]naphthyridin-10(5H)-one
• 英文别名: 15-Propan-2-yl-2,13,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaen-9-one；15-propan-2-yl-2,13,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaen-9-one
• 化学式: C₁₆H₁₄N₄O
• 分子量: 278.313
• InChiKey: ZBWQGNRXWKTXAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-isopropyl-3H-benzo[b]imidazo[4,5-g][1,8]naphthyridin-10(5H)-one 、 N,N-二乙基氯乙胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 以69%的产率得到5-[2-(diethylamino)ethyl]-3-isopropyl-3H-benzo[b]imidazo[4,5-g][1,8]naphthyridin-10(5H)-one
  参考文献：
  名称：

  Synthesis and antiproliferative activity of some novel benzo-fused imidazo[1,8]naphthyridinones

  摘要：

  A number of new substituted fused naphthyridinones has been prepared and their antiproliferative activity was evaluated against a panel of seven human tumor cell lines, including the variant MES-SA/Dx5, reported to be 100-fold resistant to doxorubicin. Certain derivatives exhibited interesting cytotoxic properties, possessing IC50 values in a low mu M range. (C) 2015 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2015.04.093
• 作为产物：
  描述：

  6-chloro-N-isopropyl-3-nitropyridin-2-amine 在 盐酸 、 四(三苯基膦)钯 、 tin(II) chloride dihdyrate 、 磷酸 、 caesium carbonate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 丙酮 、 甲苯 为溶剂， 反应 26.0h， 生成 3-isopropyl-3H-benzo[b]imidazo[4,5-g][1,8]naphthyridin-10(5H)-one
  参考文献：
  名称：

  Synthesis and antiproliferative activity of some novel benzo-fused imidazo[1,8]naphthyridinones

  摘要：

  A number of new substituted fused naphthyridinones has been prepared and their antiproliferative activity was evaluated against a panel of seven human tumor cell lines, including the variant MES-SA/Dx5, reported to be 100-fold resistant to doxorubicin. Certain derivatives exhibited interesting cytotoxic properties, possessing IC50 values in a low mu M range. (C) 2015 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2015.04.093

文献信息

• Synthesis and antiproliferative activity of some novel benzo-fused imidazo[1,8]naphthyridinones
  作者：Vassiliki Giannouli、Ioannis K. Kostakis、Nicole Pouli、Panagiotis Marakos、Pinelopi Samara、Ourania Tsitsilonis

  DOI：10.1016/j.bmcl.2015.04.093

  日期：2015.7

  A number of new substituted fused naphthyridinones has been prepared and their antiproliferative activity was evaluated against a panel of seven human tumor cell lines, including the variant MES-SA/Dx5, reported to be 100-fold resistant to doxorubicin. Certain derivatives exhibited interesting cytotoxic properties, possessing IC50 values in a low mu M range. (C) 2015 Published by Elsevier Ltd.