5-Bromo-2-(3-(trifluoromethyl)phenyl)pyridine | 1215073-37-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-Bromo-2-(3-(trifluoromethyl)phenyl)pyridine
• 英文别名: 5-bromo-2-[3-(trifluoromethyl)phenyl]pyridine
• CAS: 1215073-37-2
• 化学式: C₁₂H₇BrF₃N
• 分子量: 302.093
• InChiKey: MMQGMAGVZIROCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  318.2±42.0 °C(Predicted)
• 密度：
  1.528±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Bromo-2-(3-(trifluoromethyl)phenyl)pyridine 在 碘 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 lithium hydroxide 、 锌 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Discovery of Potent KIFC1 Inhibitors Using a Method of Integrated High-Throughput Synthesis and Screening

  摘要：

  KIFC1 (HSET), a member of the kinesin-14 family of motor proteins, plays an essential role in centrosomal bundling in cancer cells, but its function is not required for normal diploid cell division. To explore the potential of KIFC1 as a therapeutic target for human cancers, a series of potent KIFC1 inhibitors featuring a phenylalanine scaffold was developed from hits identified through high-throughput screening (HTS). Optimization of the initial hits combined both design-synthesis-test cycles and an integrated high-throughput synthesis and biochemical screening method. An important aspect of this integrated method was the utilization of DMSO stock solutions of compounds registered in the corporate compound collection as synthetic reactants. Using this method, over 1500 compounds selected for structural diversity were quickly assembled in assay-ready 384-well plates and were directly tested after the necessary dilutions. Our efforts led to the discovery of a potent KIFC1 inhibitor, AZ82, which demonstrated the desired centrosome declustering mode of action in cell studies.

  DOI：

  10.1021/jm501179r

文献信息

• 含有稠并吲哚和苯基吡啶结构的铱配合物及电致发光器件
  申请人：中国科学院长春应用化学研究所

  公开号：CN114605478A

  公开（公告）日：2022-06-10

  本发明提供了一种含有稠并吲哚和苯基吡啶结构的铱配合物，具有式I‑1～式I‑4所示的任一结构。本发明提供的上述含有稠并吲哚和苯基吡啶结构的铱配合物可作为发光层应用于有机电致发光器件，使得器件的发光效率和寿命获得了较大提高。
• Discovery of Potent KIFC1 Inhibitors Using a Method of Integrated High-Throughput Synthesis and Screening
  作者：Bin Yang、Michelle L. Lamb、Tao Zhang、Edward J. Hennessy、Gurmit Grewal、Li Sha、Mark Zambrowski、Michael H. Block、James E. Dowling、Nancy Su、Jiaquan Wu、Tracy Deegan、Keith Mikule、Wenxian Wang、Rüdiger Kaspera、Claudio Chuaqui、Huawei Chen

  DOI：10.1021/jm501179r

  日期：2014.12.11

  KIFC1 (HSET), a member of the kinesin-14 family of motor proteins, plays an essential role in centrosomal bundling in cancer cells, but its function is not required for normal diploid cell division. To explore the potential of KIFC1 as a therapeutic target for human cancers, a series of potent KIFC1 inhibitors featuring a phenylalanine scaffold was developed from hits identified through high-throughput screening (HTS). Optimization of the initial hits combined both design-synthesis-test cycles and an integrated high-throughput synthesis and biochemical screening method. An important aspect of this integrated method was the utilization of DMSO stock solutions of compounds registered in the corporate compound collection as synthetic reactants. Using this method, over 1500 compounds selected for structural diversity were quickly assembled in assay-ready 384-well plates and were directly tested after the necessary dilutions. Our efforts led to the discovery of a potent KIFC1 inhibitor, AZ82, which demonstrated the desired centrosome declustering mode of action in cell studies.