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.