piperazine, 1-[3-[4-[5-(4-chlorophenyl)-3-isoxazolyl]phenoxy]propyl]-4-methyl-

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: piperazine, 1-[3-[4-[5-(4-chlorophenyl)-3-isoxazolyl]phenoxy]propyl]-4-methyl-
• 英文别名: 5-(4-Chlorophenyl)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole；5-(4-chlorophenyl)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
• 化学式: C₂₃H₂₆ClN₃O₂
• 分子量: 411.931
• InChiKey: DTCNAPDHMICPGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  41.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对甲氧基苯甲醛肟 在 N-氯代丁二酰亚胺 、 三溴化硼 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 piperazine, 1-[3-[4-[5-(4-chlorophenyl)-3-isoxazolyl]phenoxy]propyl]-4-methyl-
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 3,5-diarylisoxazoles and 3,5-diaryl-1,2,4-oxadiazoles, novel classes of small molecule interleukin-8 (IL-8) receptor antagonists

  摘要：

  A novel series of 3,5-diarylisoxazole and 3,5-diaryl-1,2,4-oxadiazole IL-8 antagonists has been identified. These compounds exhibit activity in an IL-8 binding assay as well as in a functional assay of IL-8 induced elastase release from neutrophils. In addition, one of the compounds exhibits oral activity in a rat adjuvant arthritis model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.080

文献信息

• Synthesis and structure–activity relationships of 3,5-diarylisoxazoles and 3,5-diaryl-1,2,4-oxadiazoles, novel classes of small molecule interleukin-8 (IL-8) receptor antagonists
  作者：Michele A Weidner-Wells、Todd C Henninger、Stephanie A Fraga-Spano、Christine M Boggs、Michele Matheis、David M Ritchie、Dennis C Argentieri、Michael P Wachter、Dennis J Hlasta

  DOI：10.1016/j.bmcl.2004.05.080

  日期：2004.8

  A novel series of 3,5-diarylisoxazole and 3,5-diaryl-1,2,4-oxadiazole IL-8 antagonists has been identified. These compounds exhibit activity in an IL-8 binding assay as well as in a functional assay of IL-8 induced elastase release from neutrophils. In addition, one of the compounds exhibits oral activity in a rat adjuvant arthritis model. (C) 2004 Elsevier Ltd. All rights reserved.