4-(4-chloro-N-methylanilino)pyridine hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(4-chloro-N-methylanilino)pyridine hydrochloride
• 英文别名: N-(4-chlorophenyl)-N-methylpyridin-1-ium-4-amine;chloride
• 化学式: C₁₂H₁₁ClN₂*ClH
• 分子量: 255.147
• InChiKey: WCJFYXBIAIBQHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.07
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  17.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氯-N-甲基苯胺 、 4-氯吡啶盐酸盐 以 戊醇 为溶剂， 反应 1.0h， 以48.3%的产率得到4-(4-chloro-N-methylanilino)pyridine hydrochloride
  参考文献：
  名称：

  Choline kinase inhibitory effect and antiproliferative activity of new 1,1′,1″-(benzene-1,3,5-triylmethylene)tris?4-[(disubstituted)amino]pyridinium? tribromides

  摘要：

  Four derivatives of 1,1'-(benzene-1,3-diylmethylene)bis{4-[(disubstituted)amino]-pyridinium} dibromides (2-5) and six derivatives of 1, 1', 1"-(benzene-1,3,5-triylmethylene)-tris{4-[(disubstituted)amino]pyridinium} tribromides (6-11) were synthesised and examined for their inhibition of human choline kinase (ChoK) and antiproliferative activities. The latter are more potent as ChoK inhibitors than the former, but the antiproliferative activities against the HT-29 cell line show the opposite tendency. The higher affinity of the trispyridinium compared with the bispyridinium ones may be due to direct binding of the third pyridinium group to ChoK or may arise from a reduction of the unfavourable entropy of binding via an increase of the 'local concentration' of pyridinium groups. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(02)00004-1

文献信息

• Choline kinase inhibitory effect and antiproliferative activity of new 1,1′,1″-(benzene-1,3,5-triylmethylene)tris?4-[(disubstituted)amino]pyridinium? tribromides
  作者：A Conejo-García

  DOI：10.1016/s0223-5234(02)00004-1

  日期：2003.1

  Four derivatives of 1,1'-(benzene-1,3-diylmethylene)bis4-[(disubstituted)amino]-pyridinium} dibromides (2-5) and six derivatives of 1, 1', 1"-(benzene-1,3,5-triylmethylene)-tris4-[(disubstituted)amino]pyridinium} tribromides (6-11) were synthesised and examined for their inhibition of human choline kinase (ChoK) and antiproliferative activities. The latter are more potent as ChoK inhibitors than the former, but the antiproliferative activities against the HT-29 cell line show the opposite tendency. The higher affinity of the trispyridinium compared with the bispyridinium ones may be due to direct binding of the third pyridinium group to ChoK or may arise from a reduction of the unfavourable entropy of binding via an increase of the 'local concentration' of pyridinium groups. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.