1-(6-溴-2-吡啶基)-2-(4-喹啉基)乙酮 | 476472-00-1

• 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: 1-(6-溴-2-吡啶基)-2-(4-喹啉基)乙酮
• 英文名称: 1-(6-Bromopyridin-2-yl)-2-(quinolin-4-yl)ethanone
• 英文别名: 1-(6-bromopyridin-2-yl)-2-quinolin-4-ylethanone
• CAS: 476472-00-1
• 化学式: C₁₆H₁₁BrN₂O
• 分子量: 327.18
• InChiKey: ZPEPSHFZIXOCIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  499.5±40.0 °C(Predicted)
• 密度：
  1.497±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(6-溴-2-吡啶基)-2-(4-喹啉基)乙酮 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 66.0h， 生成 4-[3-(6-bromopyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
  参考文献：
  名称：

  Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain

  摘要：

  Pyrazole-based inhibitors of the transforming growth factor-beta type I receptor kinase domain (TbetaR-I) are described. Examination of the SAP, in both enzyme- and cell-based in vitro assays resulted in the emergence of two subseries featuring differing selectivity versus p38 MAP kinase. A common binding mode at the active site has been established by successful cocrystallization and X-ray analysis of potent inhibitors with the TbetaR-I receptor kinase domain.

  DOI：

  10.1021/jm0205705
• 作为产物：
  描述：

  4-甲基喹啉 、 6-溴-2-吡啶甲酸甲酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 18.17h， 生成 1-(6-溴-2-吡啶基)-2-(4-喹啉基)乙酮
  参考文献：
  名称：

  Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain

  摘要：

  Pyrazole-based inhibitors of the transforming growth factor-beta type I receptor kinase domain (TbetaR-I) are described. Examination of the SAP, in both enzyme- and cell-based in vitro assays resulted in the emergence of two subseries featuring differing selectivity versus p38 MAP kinase. A common binding mode at the active site has been established by successful cocrystallization and X-ray analysis of potent inhibitors with the TbetaR-I receptor kinase domain.

  DOI：

  10.1021/jm0205705

文献信息

• NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1397364B1

  公开（公告）日：2007-07-25
• [EN] METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES<br/>[FR] PROCEDES RELATIFS A L'INHIBITION DU TGF-BETA PAR LE BIAIS DE PYRAZOLES SUBSTITUES
  申请人：LILLY CO ELI

  公开号：WO2004026302A1

  公开（公告）日：2004-04-01

  Substituted pyrazoles are disclosed useful in the treatment of cancer and other disease states influenced by TGF beta by inhibiting TGF-β in a patient in need thereof.
• Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain
  作者：J. Scott Sawyer、Bryan D. Anderson、Douglas W. Beight、Robert M. Campbell、Michael L. Jones、David K. Herron、John W. Lampe、Jefferson R. McCowan、William T. McMillen、Nicholas Mort、Stephen Parsons、Edward C. R. Smith、Michal Vieth、Leonard C. Weir、Lei Yan、Faming Zhang、Jonathan M. Yingling

  DOI：10.1021/jm0205705

  日期：2003.9.1

  Pyrazole-based inhibitors of the transforming growth factor-beta type I receptor kinase domain (TbetaR-I) are described. Examination of the SAP, in both enzyme- and cell-based in vitro assays resulted in the emergence of two subseries featuring differing selectivity versus p38 MAP kinase. A common binding mode at the active site has been established by successful cocrystallization and X-ray analysis of potent inhibitors with the TbetaR-I receptor kinase domain.