N7-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-1,7-diamine | 1265967-24-5

• 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: N7-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-1,7-diamine
• 英文别名: 7-N-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-1,7-diamine
• CAS: 1265967-24-5
• 化学式: C₁₇H₁₄F₃N₃
• 分子量: 317.313
• InChiKey: PBQQPLJSMYFQLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N7-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-1,7-diamine 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 7-N-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-1,7-diamine;hydrochloride
  参考文献：
  名称：

  In vitro efficacy of 7-benzylamino-1-isoquinolinamines against Plasmodium falciparum related to the efficacy of chalcones

  摘要：

  A series of 1,7-diaminoisoquinolinamines, that are expected to mediate antimalarial activity by the same mechanism employed by the chalcones, were produced. Six 7-benzylamino-1-isoquinolinamines were found to be submicromolar inhibitors in vitro of drug-resistant Plasmodium falciparum, with the best possessing activity comparable to chloroquine. Despite being developed from a lead that is a DHFR inhibitor, these compounds do not mediate their antimalarial effects by inhibition of DHFR. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.11.099
• 作为产物：
  描述：

  7-硝基-1,2,3,4-四氢异喹啉盐酸盐 在 potassium nitrososulfonate 、 10% palladium on activated charcoal 、 氢气 、 sodium cyanoborohydride 、 sodium carbonate 、 对甲苯磺酰氯 、 间氯过氧苯甲酸 作用下， 以 吡啶 、 水 为溶剂， 生成 N7-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-1,7-diamine
  参考文献：
  名称：

  In vitro efficacy of 7-benzylamino-1-isoquinolinamines against Plasmodium falciparum related to the efficacy of chalcones

  摘要：

  A series of 1,7-diaminoisoquinolinamines, that are expected to mediate antimalarial activity by the same mechanism employed by the chalcones, were produced. Six 7-benzylamino-1-isoquinolinamines were found to be submicromolar inhibitors in vitro of drug-resistant Plasmodium falciparum, with the best possessing activity comparable to chloroquine. Despite being developed from a lead that is a DHFR inhibitor, these compounds do not mediate their antimalarial effects by inhibition of DHFR. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.11.099

文献信息

• In vitro efficacy of 7-benzylamino-1-isoquinolinamines against Plasmodium falciparum related to the efficacy of chalcones
  作者：Clare E. Gutteridge、Marshall M. Hoffman、Apurba K. Bhattacharjee、Wilbur K. Milhous、Lucia Gerena

  DOI：10.1016/j.bmcl.2010.11.099

  日期：2011.1

  A series of 1,7-diaminoisoquinolinamines, that are expected to mediate antimalarial activity by the same mechanism employed by the chalcones, were produced. Six 7-benzylamino-1-isoquinolinamines were found to be submicromolar inhibitors in vitro of drug-resistant Plasmodium falciparum, with the best possessing activity comparable to chloroquine. Despite being developed from a lead that is a DHFR inhibitor, these compounds do not mediate their antimalarial effects by inhibition of DHFR. Published by Elsevier Ltd.