4-(3-iodophenyl)-3-methyl-1H-1,2,4-triazole-5-thione | 1038323-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-iodophenyl)-3-methyl-1H-1,2,4-triazole-5-thione
• CAS: 1038323-12-4
• 化学式: C₉H₈IN₃S
• 分子量: 317.153
• InChiKey: PQCXMFPQXKUNFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 4-(3-iodophenyl)-3-methyl-1H-1,2,4-triazole-5-thione 、 环丙沙星 以 乙醇 为溶剂， 反应 12.0h， 以73%的产率得到1-Cyclopropyl-6-fluoro-7-[4-{[4-(3-iodophenyl)-3-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and in vitro activity of 1,2,4-triazole-ciprofloxacin hybrids against drug-susceptible and drug-resistant bacteria

  摘要：

  A series of novel 1,2,4-triazole-ciprofloxacin hybrids was designed, synthesised and evaluated in vitro against drug-susceptible and drug-resistant bacteria. A significant part of the compounds obtained showed antibacterial activity higher than the activity of ciprofloxacin, both towards Gram-positive and Gram-negative species. Despite relatively small number of synthesised derivatives, it was possible to observe important dependences between their structure and activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.11.040
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 4-(3-iodophenyl)-3-methyl-1H-1,2,4-triazole-5-thione
  参考文献：
  名称：

  Synthesis and in vitro activity of 1,2,4-triazole-ciprofloxacin hybrids against drug-susceptible and drug-resistant bacteria

  摘要：

  A series of novel 1,2,4-triazole-ciprofloxacin hybrids was designed, synthesised and evaluated in vitro against drug-susceptible and drug-resistant bacteria. A significant part of the compounds obtained showed antibacterial activity higher than the activity of ciprofloxacin, both towards Gram-positive and Gram-negative species. Despite relatively small number of synthesised derivatives, it was possible to observe important dependences between their structure and activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.11.040

文献信息

• [EN] IDENTIFICATION OF SMALL MOLECULE INHIBITORS OF JUMONJI AT-RICH INTERACTIVE DOMAIN 1A (JARID1A) HISTONE DEMETHYLASE<br/>[FR] IDENTIFICATION D'INHIBITEURS À PETITES MOLÉCULES DE L'HISTONE DÉMÉTHYLASE À DOMAINE 1A INTERACTIF RICHE EN AT, JUMONJI (JARID1A)
  申请人：UNIV YALE

  公开号：WO2017197210A1

  公开（公告）日：2017-11-16

  The present invention includes novel inhibitors of JARIDl A demethylase activity, and methods using the same.