THK-5105 | 1374107-46-6

• 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: THK-5105
• 英文别名: 6-[(3-fluoro-2-hydroxy)propoxy]-2-(4-dimethylaminophenyl)quinoline；1-(2-(4-(Dimethylamino)phenyl)quinolin-6-yloxy)-3-fluoropropan-2-ol；1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol
• CAS: 1374107-46-6
• 化学式: C₂₀H₂₁FN₂O₂
• 分子量: 340.397
• InChiKey: YECXMTCPEPHEAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  THK-5105 在 column: CHIRALPAK IA-3 作用下， 以 乙醇 、 正己烷 、 二乙胺 为溶剂， 生成 (2S)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol 、 (2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol
  参考文献：
  名称：

  TAU IMAGING PROBE

  摘要：

  本发明的目的是提供一种由公式(I)表示的化合物，该化合物对tau具有高度特异性，可以以满意的灵敏度成像tau，并且具有高的脑内转移率，低或不识别的寻骨性能以及低或不可检测的毒性。

  公开号：

  US20160244411A1
• 作为产物：
  描述：

  N,N-dimethyl-4-(6-(oxiran-2-ylmethoxy)quinolin-2-yl)aniline 在 六氟异丙醇 、 苯甲酰氟 、 1,5-二氮杂双环[4.3.0]壬-5-烯 、 C₇₃H₁₀₀Co₂N₄O₇ 作用下， 以 癸烷 、 甲基叔丁基醚 、 乙腈 、 叔丁醇 为溶剂， 反应 12.0h， 以74%的产率得到THK-5105
  参考文献：
  名称：

  Enantioselective Radiosynthesis of Positron Emission Tomography (PET) Tracers Containing [¹⁸F]Fluorohydrins

  摘要：

  Herein, we describe an operationally straightforward radiosynthesis of a chiral transition metal fluoride catalyst, [F-18](salen)CoF, and its use for late-stage enantioselective aliphatic radiofluorination. We demonstrate the utility of the method by preparing single enantiomer experimental and clinically validated PET tracers that contain base-sensitive functional groups, epimerizable stereocenters, and nitrogen-rich motifs. Unlike the conventional radiosyntheses of these targets with [F-18]KF, labeling with (salen)CoF is possible in the last step and under exceptionally mild conditions. These results constitute a rare example of a nucleophilic radiofluorination using a transition metal fluoride and highlight the potential of such reagents to enhance traditional methods for labeling aliphatic hydrocarbons.

  DOI：

  10.1021/ja5025645

文献信息

• RADIOLABELLING METHOD
  申请人：GE Healthcare Limited

  公开号：US20170106104A1

  公开（公告）日：2017-04-20

  The present invention relates to the field of radiopharmaceuticals for in vivo imaging, in particular to automated methods for the preparation and purification of 18 F-labelled tau imaging radiotracers. Also provided are interchangeable cassettes useful in the methods, and the use of automated synthesizers and cassettes in the methods.
• COMPOUNDS FOR TAU PROTEIN DEGRADATION
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20210154184A1

  公开（公告）日：2021-05-27

  Provided herein are bifunctional compounds that bind tau protein and/or promote targeted ubiquitination for the degradation of tau protein. In particular, provided are compounds that can bind tau protein, a protein whose aggregation is implicated in a variety of neurodegenerative disease (e.g., tauopathies), and can promote its degradation by recruiting an E3 ubiquitin ligase (e.g., Cereblon), which can ubiquitinate tau protein, marking it for proteasomal degradation. Also provided are radiolabeled forms of the bifunctional compounds, pharmaceutical compositions comprising the bifunctional compounds, methods of detecting and/or diagnosing neurological disorders, methods of detecting and/or diagnosing pathological aggregation of tau protein (e.g., in the central nervous system), methods of treating and/or preventing neurological disorders, and methods of promoting the degradation of tau protein by E3 ubiquitin ligase activity in a subject by administering a compound or composition described herein.
• US9249101B2
  申请人：——

  公开号：US9249101B2

  公开（公告）日：2016-02-02
• US9452985B2
  申请人：——

  公开号：US9452985B2

  公开（公告）日：2016-09-27
• US9701637B2
  申请人：——

  公开号：US9701637B2

  公开（公告）日：2017-07-11