6-<<4-<3,4-(methylenedioxy)phenyl>-6-phenyl-2-pyridyl>oxy>-2,2-dimethylhexanoic acid | 141747-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-<<4-<3,4-(methylenedioxy)phenyl>-6-phenyl-2-pyridyl>oxy>-2,2-dimethylhexanoic acid
• 英文别名: 2,2-dimethyl-6-{[4-(3,4-methylenedioxyphenyl)-6-phenyl-2-pyridyl]oxy}hexanoic acid；6-(4-benzo[d]1,3-dioxolan-5-yl-6-phenyl(2-pyridyloxy))-2,2-dimethylhexanoic acid；6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-yloxy)-2,2-dimethyl-hexanoic acid；6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-2,2-dimethylhexanoic acid
• CAS: 141747-76-4
• 化学式: C₂₆H₂₇NO₅
• 分子量: 433.504
• InChiKey: BHZGPWWJYFBUPW-UHFFFAOYSA-N

物化性质

• 沸点：
  592.6±50.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  77.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 6-<<4-<3,4-(methylenedioxy)phenyl>-6-phenyl-2-pyridyl>oxy>-2,2-dimethylhexanoic acid 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 N-甲基乙酰胺 、 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 2-(6-(4-benzo[d]1,3-dioxolan-5-yl-6-phenyl(2-pyridyloxy))-2,2-dimethylhexanoyl-amino)-3-(4-hydroxyphenyl)propanoic acid
  参考文献：
  名称：

  Radiopharmaceuticals for imaging infection and inflammation

  摘要：

  本发明提供了用于诊断感染和炎症的新型放射性药物，用于制备这些放射性药物的试剂和工具包，用于在患者体内成像感染和/或炎症部位的方法，以及用于诊断需要此类诊断的患者中与感染或炎症相关的疾病的方法。这些放射性药物在体内与在感染和炎症部位聚集的白细胞表面的白三烯B4（LTB4）受体结合。本发明提供的试剂还可用于治疗与感染和炎症相关的疾病。

  公开号：

  US20030124053A1
• 作为产物：
  描述：

  methyl 6-bromo-2,2-dimethylhexanoate 在 氢氧化钾 、 silver carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 6-<<4-<3,4-(methylenedioxy)phenyl>-6-phenyl-2-pyridyl>oxy>-2,2-dimethylhexanoic acid
  参考文献：
  名称：

  .omega.-[(4,6-Diphenyl-2-pyridyl)oxy]alkanoic acid derivatives: a new family of potent and orally active LTB4 antagonists

  摘要：

  A series of omega-[(4,6-diphenyl-2-pyridyl)oxy]alkanoic acid derivatives was prepared which inhibited the binding of leukotriene B4 to its receptors on guinea pig spleen membranes and on human polymorphonuclear leukocytes (PMNs) and selectively antagonized the LTB4-induced elastase release in human PMNs. On the basis of these three screens, a structure-activity relationship was investigated. Alpha-Substitution on the carboxylic acid side chain led to only small changes in the binding affinities but greatly enhanced the LTB4 antagonist activity. Substitution on the phenyl rings was also evaluated. The terminal carboxylic acid function can be replaced by a tetrazole ring without loss in activity. The beat in vitro LTB4 antagonists of this series were investigated in vivo in the inhibition of LTB4-induced leukopenia in rabbits. Compound 9b (RP69698) displayed potent LTB4 antagonist activity, after oral administration, with an ED50 value of 6.7 mg/kg.

  DOI：

  10.1021/jm00101a008

文献信息

• Radiopharmaceuticals for imaging infection and inflammation
  申请人：——

  公开号：US20030124053A1

  公开（公告）日：2003-07-03

  The present invention provides novel radiopharmaceuticals useful for the diagnosis of infection and inflammation, reagents and kits useful for preparing the radiopharmaceuticals, methods of imaging sites of infection and/or inflammation in a patient, and methods of diagnosing diseases associated with infection or inflammation in patients in need of such diagnosis. The radiopharmaceuticals bind in vivo to the leukotriene B4 (LTB4) receptor on the surface of leukocytes which accumulate at the site of infection and inflammation. The reagents provided by this invention are also useful for the treatment of diseases associated with infection and inflammation.

  本发明提供了用于诊断感染和炎症的新型放射性药物，用于制备这些放射性药物的试剂和工具包，用于在患者体内成像感染和/或炎症部位的方法，以及用于诊断需要此类诊断的患者中与感染或炎症相关的疾病的方法。这些放射性药物在体内与在感染和炎症部位聚集的白细胞表面的白三烯B4（LTB4）受体结合。本发明提供的试剂还可用于治疗与感染和炎症相关的疾病。
• LTB4 antagonists and radiopharmaceuticals for imaging infection and inflammation
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1293214A3

  公开（公告）日：2003-03-26

  The present invention provides novel radiopharmaceutials useful for the diagnosis of infection and inflammation, reagents and kits useful for preparing the radiopharmaceuticals, methods of imaging sites of infection and/or inflammation in a patient, and methods of diagnosing diseases associated with infection or inflammation in patients in need of such diagnosis. The radiopharmaceuticals bind in vivo to the leukotriene B4 (LTB4) receptor on the surface of leukocytes which accumulate at the site of infection and inflammation. The reagents provided by this invention are also useful for the treatment of diseases associated with infection and inflammation.

  本发明提供了用于诊断感染和炎症的新型放射性药物，用于制备放射性药物的试剂和试剂盒，用于在患者体内成像感染和/或炎症部位的方法，以及用于诊断需要此类诊断的患者中与感染或炎症相关的疾病的方法。这些放射性药物在体内与在感染和炎症部位积聚的白细胞表面的白三烯B4（LTB4）受体结合。本发明提供的试剂还可用于治疗与感染和炎症相关的疾病。
• RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION
  申请人：Du Pont Pharmaceuticals Company

  公开号：EP0999856A2

  公开（公告）日：2000-05-17
• US5366982A
  申请人：——

  公开号：US5366982A

  公开（公告）日：1994-11-22
• US5492915A
  申请人：——

  公开号：US5492915A

  公开（公告）日：1996-02-20