ethyl 5-(5-(5-(4,6-diphenyl(2-pyridyloxy))-1,1-dimethylpentyl)-1,2,3,4-tetrazolyl)pentanoate | 206265-82-9

• 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: ethyl 5-(5-(5-(4,6-diphenyl(2-pyridyloxy))-1,1-dimethylpentyl)-1,2,3,4-tetrazolyl)pentanoate
• 英文别名: ethyl 5-(5-(5-(4,6-diphenyl(2-pyridyloxy))-1,1-dimethylpentyl)-1,2,3,4-tetraazolyl)pentanoate；ethyl 5-[5-[6-(4,6-diphenylpyridin-2-yl)oxy-2-methylhexan-2-yl]tetrazol-1-yl]pentanoate
• CAS: 206265-82-9
• 化学式: C₃₂H₃₉N₅O₃
• 分子量: 541.693
• InChiKey: KAPADHCHHXECIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  40
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 5-(5-(5-(4,6-diphenyl(2-pyridyloxy))-1,1-dimethylpentyl)-1,2,3,4-tetrazolyl)pentanoate 在 LiOH 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 哌啶 、 氯仿 、 2-氨基-3-氯-1,4-萘醌 、 水 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 生成 tert-Butyl 3-(N-{[N-{2-[(tert-Butyl)oxycarbonyl]ethyl}-N-({N-[3-(5-{5-[5-(4,6-diphenyl(2-pyridyloxy))-1,1-dimethylpentyl](1,2,3,4-tetraazolyl)}-pentanoylamino)propyl]carbamoyl}methyl)carbamoyl]methyl}-(fluoren-9-ylmethoxy)carbonylamino)propanoate
  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：

  5-{1,1-dimethyl-5-[(4,6-diphenyl-2-pyridyl)oxy]pentyl}-[1H]-tetrazole 、 5-溴戊酸乙酯 在 三丁基氧化锡 作用下， 以 乙醇 、 环己烷 为溶剂， 反应 28.5h， 以36%的产率得到ethyl 5-(5-(5-(4,6-diphenyl(2-pyridyloxy))-1,1-dimethylpentyl)-1,2,3,4-tetrazolyl)pentanoate
  参考文献：
  名称：

  Synthesis of Leukotriene B4 Antagonists Labeled with In-111 or Tc-99m to Image Infectious and Inflammatory Foci

  摘要：

  In previous studies we demonstrated that lipophilic Tc-99m-labeled LTB4 antagonist 1 (RP517) accumulated in infectious foci in rabbits, but hepatobiliary clearance hampered imaging of abdominal lesions. We now report the use of cysteic acid as a pharmacokinetic modifier to improve the water solubility and renal clearance of three hydrophilic analogues of 1. Divalent LTB4 antagonist 17 (DPC11870-11) is a DTPA conjugate for radiolabeling with In-111. Monovalent LTB4 antagonists 15 (BMS57868-88) and divalent LTB4 antagonist 18 (BMS5786881) are conjugated to bifunctional chelator HYNIC for radiolabeling with Tc-99m. The three compounds labeled efficiently with In-111 or Tc-99m with high radiochemical purity and specific activities. Scintigraphic images obtained in New Zealand White rabbits having acute intramuscular E. coli infection demonstrated that all agents were able to clearly visualize the abscess, and clearance was exclusively renal. The biodistribution of the Tc-99m-labeled LTB4 antagonists was affected by the coligands used with the HYNIC chelator and by the monovalent or divalent nature of the receptor binding moiety. The best scintigraphic images were obtained with monovalent HYNIC conjugate 15 using tricine and isonicotinic acid as coligands with HYNIC for coordination with Tc-99m.

  DOI：

  10.1021/jm050383h

文献信息

• Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation
  申请人：——

  公开号：US20030003049A1

  公开（公告）日：2003-01-02

  The present invention provides novel diagnostic compositions comprising a radiolabeled LTB4 binding agent and a radiolabeled perfusion imaging agent, diagnostic kits comprising such compositions, and methods of concurrent imaging in a mammal comprising administering a radiolabeled LTB4 binding agent and a radiolabeled perfusion imaging agent, and concurrently detecting the radiolabeled LTB4 binding agent bound at the LTB4 receptor and the radiolabeled perfusion imaging agent.

  本发明提供了包括放射标记的LTB4结合剂和放射标记的灌注成像剂的新型诊断组合物，包括这种组合物的诊断试剂盒，以及在哺乳动物中进行同时成像的方法，包括给予放射标记的LTB4结合剂和放射标记的灌注成像剂，并同时检测结合在LTB4受体上的放射标记的LTB4结合剂和放射标记的灌注成像剂。
• 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
• SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1347784A2

  公开（公告）日：2003-10-01
• US6416733B1
  申请人：——

  公开号：US6416733B1

  公开（公告）日：2002-07-09