乙酮,2-(4-氟苯基)-1-(2-吡啶基)- | 111883-52-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙酮,2-(4-氟苯基)-1-(2-吡啶基)-
• 英文名称: 2-(4-fluorophenyl)-1-(2-pyridyl)ethanone
• 英文别名: 2-(4-fluorophenyl)-1-pyridin-2-yl-ethanone；2-(4-fluorophenyl)-1-pyridin-2-ylethanone
• CAS: 111883-52-4
• 化学式: C₁₃H₁₀FNO
• 分子量: 215.227
• InChiKey: BWASSZQNCXUTSB-UHFFFAOYSA-N

物化性质

• 沸点：
  335.1±22.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酮,2-(4-氟苯基)-1-(2-吡啶基)- 在 RaNi 氢气 、 sodium cyanoborohydride 、 溶剂黄146 、 zinc(II) chloride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， -30.0 ℃ 、344.73 kPa 条件下， 生成 2-[(2R,3R)-3-(4-fluorophenyl)pyrrolidin-2-yl]pyridine
  参考文献：
  名称：

  一般的立体控制合成顺式-2,3双取代的吡咯烷和哌啶

  摘要：

  据报道，从容易获得的无环前体制备顺式-2，3-二取代的吡咯烷和哌啶的通用合成方法。关键反应涉及由C-3取代基控制的环状亚胺的立体选择性还原。

  DOI：

  10.1016/s0040-4039(00)73710-5
• 作为产物：
  描述：

  2-吡啶甲酸甲酯 在 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 乙酮,2-(4-氟苯基)-1-(2-吡啶基)-
  参考文献：
  名称：

  Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-β type I receptor kinase domain

  摘要：

  We have expanded our previously reported series of pyrazole-based inhibitors of the TGF-beta type I receptor kinase domain (TbetaR-I) to now include new 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole analogues. Limited examination of the SAR of this new series in both enzyme and cell based in vitro assays has revealed selectivity differences with respect to p38 MAP kinase (p38 MAPK) depending on the nature of the 'warhead' group on the dihydropyrrolopyrazole ring. As with our original pyrazole series, phenyl substituents tended to show greater selectivity against p38 MAPK than those comprised of the quinoline-4-yl moiety. We have also achieved co-crystallization and X-ray analysis of compounds 3 and 15, two potent examples of this new series, with the TbetaR-I receptor kinase domain.

  DOI：

  10.1016/j.bmcl.2004.04.007

文献信息

• [EN] NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS<br/>[FR] DERIVES DE PYRAZOLOPYRIDINE TENANT LIEU D'AGENTS PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2004026871A1

  公开（公告）日：2004-04-01

  Novel pyrazolopyridine derivative compounds are disclosed and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors useful in the treatment of cancer and other disease states influenced by TGF beta.

  揭示了新型吡唑吡啶衍生物化合物及其作为药物代理的用途，特别是它们作为TGF-beta信号传导抑制剂在癌症和其他受TGF beta影响的疾病状态治疗中的用途。
• [EN] ANTIPARASITIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIPARASITAIRES
  申请人：AVISTA PHARMA SOLUTIONS

  公开号：WO2016183173A1

  公开（公告）日：2016-11-17

  The invention relates to thiazole derivatives and their use to treat parasites.

  这项发明涉及噻唑衍生物及其用于治疗寄生虫的用途。
• 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors
  申请人：——

  公开号：US20040147579A1

  公开（公告）日：2004-07-29

  A class of pyrazole derivatives is described for use in treating p38 kinase mediated disorders. Compounds of particular interest are defined by Formula I 1 wherein R 1 , R 2 , Ar 1 and HetAr 2 are as described in the specification.

  本文描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式I1定义，其中R1、R2、Ar1和HetAr2如规范中所述。
• Novel pyrazolopyridine derivatives as pharmaceutical agents
  申请人：Beight Wade Douglas

  公开号：US20050222197A1

  公开（公告）日：2005-10-06

  Novel pyrazolopyridine derivative compounds are disclosed and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors useful in the treatment of cancer and other disease states influenced by TGF beta.

  本发明揭示了一种新型吡唑吡啶衍生物化合物，其作为药物代理使用，特别是其作为TGF-beta信号传导抑制剂在治疗癌症和其他受TGF beta影响的疾病状态中的应用。
• Pyrazolopyridine derivatives as pharmaceutical agents
  申请人：Eli Lilly and Company

  公开号：US07365066B2

  公开（公告）日：2008-04-29

  Novel pyrazolopyridine derivative compounds are disclosed and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors useful in the treatment of cancer and other disease states influenced by TGF beta.

  本发明揭示了新型吡唑吡啶衍生物化合物，并且它们被用作制药剂，特别是用作TGF-beta信号传导抑制剂，可用于治疗受TGF beta影响的癌症和其他疾病状态。