3-(4-chlorobenzyl)-5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)thiazolidine-2,4-dione | 1224572-47-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-chlorobenzyl)-5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)thiazolidine-2,4-dione
• 英文别名: 3-[(4-chlorophenyl)methyl]-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• CAS: 1224572-47-7
• 化学式: C₂₆H₁₇Cl₂N₃O₂S
• 分子量: 506.412
• InChiKey: IWOJGHFPKRZGTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.08
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  55.2
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-[(4-氯苯基)甲基]-1,3-噻唑烷-2,4-二酮 、 3-(4-氯苯基)-1-苯基-1H-吡唑-4-甲醛 在 哌啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以85%的产率得到3-(4-chlorobenzyl)-5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)thiazolidine-2,4-dione
  参考文献：
  名称：

  Synthesis and biological evaluation of novel pyrazolyl-2,4-thiazolidinediones as anti-inflammatory and neuroprotective agents

  摘要：

  Novel pyrazolyl-2,4-thiazolidinediones were prepared via the reaction of appropriate pyrazolecarboxaldehydes with 2,4-thiazolidinediones and substituted benzyl-2,4-thiazolidinediones. The resultant compounds were first evaluated for their anti-inflammatory and neuroprotective properties in vitro. The active compounds were further studied in vivo by using the formalin-induced paw edema and the turpentine oil-induced granuloma pouch bioassays. We identified four novel compounds that showed protective effects in vitro at non-toxic concentrations, and were also effective in the animal models of acute and sub-acute inflammation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.01.021