6-溴-4-(吡嗪-4-基)喹啉 | 1086063-18-4

• 物质功能分类: 医药中间体 - 吡嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 6-溴-4-(吡嗪-4-基)喹啉
• 英文名称: 6-bromo-4-(pyridazin-4-yl)quinoline
• 英文别名: 6-bromo-4-(4-pyridazinyl)quinoline；6-bromo-4-pyridazin-4-ylquinoline
• CAS: 1086063-18-4
• 化学式: C₁₃H₈BrN₃
• 分子量: 286.131
• InChiKey: AWUZTCWLOWWNTE-UHFFFAOYSA-N

物化性质

• 沸点：
  487.9±45.0 °C(Predicted)
• 密度：
  1.549±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-溴-4-(吡嗪-4-基)喹啉 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 芸香苷
  参考文献：
  名称：

  [11C]GSK2126458 and [18F]GSK2126458, the first radiosynthesis of new potential PET agents for imaging of PI3K and mTOR in cancers

  摘要：

  GSK2126458 is a highly potent inhibitor of phosphoinositide 3-kinase (PI3K) and mammalian target of rapamycin (mTOR) with low picomolar to subnanomolar activity. [C-11]GSK2126458 and [F-18]GSK212 6458, new potential PET agents for imaging of PI3K and mTOR in cancer, were first designed and synthesized in 40-50% and 20-30% decay corrected radiochemical yield, and 370-740 and 37-222 GBq/lmol specific activity at end of bombardment (EOB), respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.136
• 作为产物：
  描述：

  5-[(4-溴苯基氨基)亚甲基]-2,2-二甲基-1,3-二噁烷-4,6-二酮 在 盐酸 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 二苯醚 、 sodium iodide 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 、 N,N-二甲基甲酰胺 、 丙腈 为溶剂， 反应 98.75h， 生成 6-溴-4-(吡嗪-4-基)喹啉
  参考文献：
  名称：

  [11C]GSK2126458 and [18F]GSK2126458, the first radiosynthesis of new potential PET agents for imaging of PI3K and mTOR in cancers

  摘要：

  GSK2126458 is a highly potent inhibitor of phosphoinositide 3-kinase (PI3K) and mammalian target of rapamycin (mTOR) with low picomolar to subnanomolar activity. [C-11]GSK2126458 and [F-18]GSK212 6458, new potential PET agents for imaging of PI3K and mTOR in cancer, were first designed and synthesized in 40-50% and 20-30% decay corrected radiochemical yield, and 370-740 and 37-222 GBq/lmol specific activity at end of bombardment (EOB), respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.136
• 作为试剂：
  描述：

  N-(5-溴-2-甲氧基吡啶-3-基)-2,4-二氟苯磺酰胺 、 6-溴-4-(吡嗪-4-基)喹啉 在 6-溴-4-(吡嗪-4-基)喹啉 作用下， 以76的产率得到芸香苷
  参考文献：
  名称：

  ACS Med. Chem. Lett. 2010, 1, 39-43

  摘要：

  DOI：

文献信息

• METHOD OF ADMINISTRATION AND TREATMENT
  申请人：Bachman Kurtis Earl

  公开号：US20130317037A1

  公开（公告）日：2013-11-28

  The present invention provides a method of treating a human with cancer comprising detecting at least one mutation in a PIK3CA gene or at least one mutant protein encoded by said PIK3CA gene from at least one first sample from said human and administering to said human an effective amount of 2,4-difluoro-N-2-(methyloxy)-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl}benzenesulfonamide or a pharmaceutically acceptable salt thereof in a pharmaceutical composition if said at least one sample has at least one mutant PI3K protein or a mutation in the PIK3CA gene.

  本发明提供了一种治疗癌症的方法，包括检测来自人体的至少一个第一样本中的PIK3CA基因中的至少一个突变或由该PIK3CA基因编码的至少一个突变蛋白，并且如果该至少一个样本中至少有一个突变PI3K蛋白或PIK3CA基因中的突变，则向该人体施用2,4-二氟-N-2-(甲氧基)-5-[4-(4-吡啶基)-6-喹啉基]-3-吡啶基}苯磺酰胺或其在制药组合物中的药用可接受的盐的有效量。
• QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS
  申请人：Adams Nicholas D.

  公开号：US20080300239A1

  公开（公告）日：2008-12-04

  Invented is a method of inhibiting the activity/function of PI3 kinases using quinoline derivatives. Also invented is a method of treating one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries by the administration of quinoline derivatives.

  本发明涉及使用喹啉衍生物抑制PI3激酶的活性/功能的方法。本发明还涉及使用喹啉衍生物治疗自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官衰竭、肾脏疾病、血小板聚集、癌症、精子运动性、移植排斥、移植物排斥和肺损伤的方法。
• QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS
  申请人：Adams Nicholas D.

  公开号：US20100152112A1

  公开（公告）日：2010-06-17

  Invented is a method of inhibiting the activity/function of PI3 kinases using quinoline derivatives. Also invented is a method of treating one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries by the administration of quinoline derivatives.

  发明了一种使用喹啉衍生物抑制PI3激酶活性/功能的方法。同时，还发明了一种使用喹啉衍生物治疗自身免疫疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官功能衰竭、肾脏疾病、血小板聚集、癌症、精子运动性、移植排斥、移植物排斥和肺部损伤的方法。
• Quinoline derivatives as PI3 kinase inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US08138347B2

  公开（公告）日：2012-03-20

  Invented is a method of inhibiting the activity/function of PI3 kinases using quinoline derivatives. Also invented is a method of treating one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries by the administration of quinoline derivatives.

  本发明提供了一种使用喹啉衍生物抑制PI3激酶活性/功能的方法。本发明还提供了使用喹啉衍生物治疗自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官衰竭、肾脏疾病、血小板聚集、癌症、精子运动能力、移植排斥、移植物排斥和肺损伤的方法。
• Quinoline derivatives as P13 kinase inhibitors
  申请人：Adams Nicholas D.

  公开号：US08404837B2

  公开（公告）日：2013-03-26

  Invented is a method of inhibiting the activity/function of PI3 kinases using quinoline derivatives. Also invented is a method of treating one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries by the administration of quinoline derivatives.

  本发明涉及使用喹啉衍生物抑制PI3激酶的活性/功能的方法。本发明还涉及使用喹啉衍生物治疗以下一种或多种疾病状态的方法：自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官衰竭、肾脏疾病、血小板聚集、癌症、精子运动能力、移植排斥、移植物排斥和肺损伤。