(Z)-N'-[(2-chlorophenyl)sulfonyl]-3-pyridinecarboximidamide | 1431370-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-N'-[(2-chlorophenyl)sulfonyl]-3-pyridinecarboximidamide
• 英文别名: N'-(2-chlorophenyl)sulfonylpyridine-3-carboximidamide
• CAS: 1431370-05-6
• 化学式: C₁₂H₁₀ClN₃O₂S
• 分子量: 295.749
• InChiKey: OLLLWFIJIMPEQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氰基吡啶 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 反应 3.5h， 生成 (Z)-N'-[(2-chlorophenyl)sulfonyl]-3-pyridinecarboximidamide
  参考文献：
  名称：

  Synthesis, structure, and biological activity of novel heterocyclic sulfonyl-carboximidamides

  摘要：

  A series of novel heterocyclic sulfonyl-carboximidamides were synthesized in satisfactory yields via condensation of heterocyclic methyl carbimidates with 2-chlorobenzenesulfonamide and 4-chloropyridine-3-sulfonamide. New structures were confirmed by IR and NMR spectra as well as elemental analyses. X-ray crystallography of two derivatives was performed. The single-crystal structures confirmed the presence of a primary amine group in the amidine moiety. All the compounds were screened for their tuberculostatic, antibacterial, and anticancer activities. Preliminary results indicated that target compounds exhibited weak tuberculostatic and antibacterial activities. Seven compounds inhibited the growth of some cancer cell lines, whereas one of the 2-quinoline derivatives displayed favorable activity against all tested cancer cells with GI (50) values of 0.92-13 mu M.

  DOI：

  10.1007/s00706-012-0888-0

文献信息

• Synthesis, structure, and biological activity of novel heterocyclic sulfonyl-carboximidamides
  作者：Katarzyna Gobis、Henryk Foks、Jarosław Sławiński、Artur Sikorski、Damian Trzybiński、Ewa Augustynowicz-Kopeć、Agnieszka Napiórkowska、Krzysztof Bojanowski

  DOI：10.1007/s00706-012-0888-0

  日期：2013.5

  A series of novel heterocyclic sulfonyl-carboximidamides were synthesized in satisfactory yields via condensation of heterocyclic methyl carbimidates with 2-chlorobenzenesulfonamide and 4-chloropyridine-3-sulfonamide. New structures were confirmed by IR and NMR spectra as well as elemental analyses. X-ray crystallography of two derivatives was performed. The single-crystal structures confirmed the presence of a primary amine group in the amidine moiety. All the compounds were screened for their tuberculostatic, antibacterial, and anticancer activities. Preliminary results indicated that target compounds exhibited weak tuberculostatic and antibacterial activities. Seven compounds inhibited the growth of some cancer cell lines, whereas one of the 2-quinoline derivatives displayed favorable activity against all tested cancer cells with GI (50) values of 0.92-13 mu M.