4-(4-Chloro-3-nitrophenyl)-2-mercaptothiazole | 474970-50-8

• 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-(4-Chloro-3-nitrophenyl)-2-mercaptothiazole
• 英文别名: 4-(4-chloro-3-nitrophenyl)-3H-1,3-thiazole-2-thione
• CAS: 474970-50-8
• 化学式: C₉H₅ClN₂O₂S₂
• 分子量: 272.736
• InChiKey: GEGYTDWDHRMRAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[1-(3,4-dichlorobenzyl)piperidin-4-yl]chloroacetamide 、 4-(4-Chloro-3-nitrophenyl)-2-mercaptothiazole 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 3.0h， 生成 [4-(4-chloro-3-nitrophenyl)thiazol-2-ylthio]-N-[1-(3,4-dichlorobenzyl)piperidin-4-yl]acetamide
  参考文献：
  名称：

  3,4-Dihalobenzylpiperidine derivatives and their medical use

  摘要：

  公开号：

  EP1389616B1

文献信息

• Novel benzylpiperidine compound
  申请人：——

  公开号：US20040158071A1

  公开（公告）日：2004-08-12

  The object of the present invention is to provide a compound having a treatment effect based on a chemokine inhibitory activity, which is satisfactory as a pharmaceutical product for oral administration. The present inventors have found that the following benzylpiperidine derivative (the formula (1)) has a chemokine inhibitory activity. Further intensive studies have resulted in successful enhancement of the chemokine inhibitory activity and stability in blood of the present compound, as well as the completion of the present invention. 1 wherein each symbol is as defined in the specification.

  本发明的目的是提供一种具有基于趋化因子抑制活性的治疗效果的化合物，作为口服药物而言，具有令人满意的药物品质。本发明人发现以下苯基哌啶衍生物（式（1））具有趋化因子抑制活性。进一步的深入研究成功增强了该化合物的趋化因子抑制活性和血液稳定性，从而完成了本发明。式中每个符号如说明书中所定义。
• Benzylpiperidine compound
  申请人：Mitsubishi Pharma Corporation

  公开号：US07115635B2

  公开（公告）日：2006-10-03

  The object of the present invention is to provide a compound having a treatment effect based on a chemokine inhibitory activity, which is satisfactory as a pharmaceutical product for oral administration. The present inventors have found that the following benzylpiperidine derivative (the formula (1)) has a chemokine inhibitory activity. Further intensive studies have resulted in successful enhancement of the chemokine inhibitory activity and stability in blood of the present compound, as well as the completion of the present invention. wherein each symbol is as defined in the specification.

  本发明的目的是提供一种具有基于趋化因子抑制活性的治疗效果的化合物，其作为口服药物的药品是令人满意的。本发明人发现以下苯基哌啶衍生物（式（1））具有趋化因子抑制活性。进一步的深入研究成功提高了该化合物的趋化因子抑制活性和血液稳定性，完成了本发明。 其中，每个符号如规范中所定义。