N-(2-chloro-5-(4-chloroquinolin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide | 1201841-63-5

• 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
• 英文名称: N-(2-chloro-5-(4-chloroquinolin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
• 英文别名: N-(2-chloro-5-(4-chloro-6-quinolinyl)-3-pyridinyl)-4-fluorobenzenesulfonamide；N-[2-chloro-5-(4-chloroquinolin-6-yl)pyridin-3-yl]-4-fluorobenzenesulfonamide
• CAS: 1201841-63-5
• 化学式: C₂₀H₁₂Cl₂FN₃O₂S
• 分子量: 448.305
• InChiKey: PTBUVHCLTBDERA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙二醇甲醚 、 N-(2-chloro-5-(4-chloroquinolin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 20.0h， 生成 N-(2-chloro-5-(4-(2-methoxyethoxy)-6-quinolinyl)-3-pyridinyl)-4-fluorobenzenesulfonamide
  参考文献：
  名称：

  [EN] INHIBITORS OF PI3 KINASE
  [FR] INHIBITEURS DE LA PI3 KINASE

  摘要：

  公开号：

  WO2009155121A3
• 作为产物：
  描述：

  6-溴-4-氯喹啉 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.33h， 生成 N-(2-chloro-5-(4-chloroquinolin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
  参考文献：
  名称：

  [EN] INHIBITORS OF PI3 KINASE
  [FR] INHIBITEURS DE LA PI3 KINASE

  摘要：

  公开号：

  WO2009155121A3

文献信息

• INHIBITORS OF PI3 KINASE
  申请人：Bo Yunxin Y.

  公开号：US20110092504A1

  公开（公告）日：2011-04-21

  The present invention relates to compounds of Formula (I), or a pharmaceutically acceptable salt thereof; methods of treating diseases or conditions, such as cancer, using the compounds; and pharmaceutical compositions containing the compounds, wherein Q, X 1 , X 2 , R 1 and Z are as defined herein.

  本发明涉及式（I）的化合物，或其药学上可接受的盐；使用该化合物治疗疾病或病症的方法，例如癌症；以及含有该化合物的制药组合物，其中Q、X1、X2、R1和Z的定义如本文所述。
• Inhibitors of PI3 kinase
  申请人：Bo Yunxin Y.

  公开号：US08415376B2

  公开（公告）日：2013-04-09

  The present invention relates to compounds of Formula (I), or a pharmaceutically acceptable salt thereof; methods of treating diseases or conditions, such as cancer, using the compounds; and pharmaceutical compositions containing the compounds, wherein Q, X1, X2, R1 and Z are as defined herein.

  本发明涉及公式（I）的化合物或其药学上可接受的盐；使用这些化合物治疗癌症等疾病或病况的方法；以及含有这些化合物的制药组合物，其中Q、X1、X2、R1和Z的定义如本文所述。
• Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US10548876B2

  公开（公告）日：2020-02-04

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这些方法和组合物尤其适用于双蒽或其衍生物、类似物或原药。
• Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US11147800B2

  公开（公告）日：2021-10-19

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这些方法和组合物尤其适用于双蒽或其衍生物、类似物或原药。
• Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure–Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives
  作者：Nobuko Nishimura、Aaron Siegmund、Longbin Liu、Kevin Yang、Marian C. Bryan、Kristin L. Andrews、Yunxin Bo、Shon K. Booker、Sean Caenepeel、Daniel Freeman、Hongyu Liao、John McCarter、Erin L. Mullady、Tisha San Miguel、Raju Subramanian、Nuria Tamayo、Ling Wang、Douglas A. Whittington、Leeanne Zalameda、Nancy Zhang、Paul E. Hughes、Mark H. Norman

  DOI：10.1021/jm200386s

  日期：2011.7.14

  The phosphoinositide 3-kinase (PI3K) family catalyzes the ATP-dependent phosphorylation of the 3'-hydroxyl group of phosphatidylinositols and plays an important role in cell growth and survival. There is abundant evidence demonstrating that PI3K signaling is dysregulated in many human cancers, suggesting that therapeutics targeting the PI3K pathway may have utility for the treatment of cancer. Our efforts to identify potent, efficacious, and orally available PI3K/mammalian target of rapamycin (mTOR) dual inhibitors resulted in the discovery of a series of substituted quinolines and quinoxalines derivatives. In this report, we describe the structure-activity relationships, selectivity, and pharmacokinetic data of this series and illustrate the in vivo pharmacodynamic and efficacy data for a representative compound.