4-(3-cyclohexylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide

• 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: 4-(3-cyclohexylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
• 英文别名: 4-[(cyclohexylcarbamothioyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide；1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
• 化学式: C₁₇H₂₂N₄O₃S₂
• 分子量: 394.519
• InChiKey: QAMCABQERDQMGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  醋磺胺甲噁唑 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 生成 4-(3-cyclohexylthioureido)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
  参考文献：
  名称：

  Design, synthesis and evaluation of novel polypharmacological antichlamydial agents

  摘要：

  Discovery of new polypharmacological antibacterial agents with multiple modes of actions can be an alternative to combination therapy and also a possibility to slow development of antibiotic resistance. In support to this hypothesis, we synthesized 16 compounds by combining the pharmacophores of Chlamydia trachomatis inhibitors and inhibitors of type III secretion (T3S) in gram-negative bacteria. In this study we have developed salicylidene acylhydrazide sulfonamides (11c & 11d) as new antichlamydial agents that also inhibit T3S in Yersinia pseudotuberculosis. (C) 2015 The Authors. Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2015.07.019

文献信息

• Design, synthesis and evaluation of novel polypharmacological antichlamydial agents
  作者：Naresh Sunduru、Olli Salin、Åsa Gylfe、Mikael Elofsson

  DOI：10.1016/j.ejmech.2015.07.019

  日期：2015.8

  Discovery of new polypharmacological antibacterial agents with multiple modes of actions can be an alternative to combination therapy and also a possibility to slow development of antibiotic resistance. In support to this hypothesis, we synthesized 16 compounds by combining the pharmacophores of Chlamydia trachomatis inhibitors and inhibitors of type III secretion (T3S) in gram-negative bacteria. In this study we have developed salicylidene acylhydrazide sulfonamides (11c & 11d) as new antichlamydial agents that also inhibit T3S in Yersinia pseudotuberculosis. (C) 2015 The Authors. Published by Elsevier Masson SAS.