1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea
• 英文别名: 1-(4-fluorophenyl)-3-isoquinolin-5-ylthiourea
• 化学式: C₁₆H₁₂FN₃S
• 分子量: 297.356
• InChiKey: HDBUBFKXJLAWQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea 、 2'-溴-4-氯苯乙酮 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (E)-N-(4-(4-chlorophenyl)-3-(4-fluorophenyl)thiazol-2(3H)-ylidene)isoquinoline-5-amine
  参考文献：
  名称：

  Synthesis, characterization, carbonic anhydrase inhibitor activity, and docking studies of phenylthiazol-2(3h)-ylidene-isoquinoline-5-amine Derivatives

  摘要：

  DOI：

  10.1016/j.molstruc.2023.136061
• 作为产物：
  描述：

  5-氨基异喹啉 、 1-fluoro-4-thiocyanatobenzene 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea
  参考文献：
  名称：

  Synthesis, characterization, carbonic anhydrase inhibitor activity, and docking studies of phenylthiazol-2(3h)-ylidene-isoquinoline-5-amine Derivatives

  摘要：

  DOI：

  10.1016/j.molstruc.2023.136061

文献信息

• CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODE-GENERATIVE DISEASES SUCH AS TAUOPATHIES
  申请人：Sheridan Joseph M.

  公开号：US20140031547A1

  公开（公告）日：2014-01-30

  The invention relates to pharmaceutical compositions comprising casein kinase 1 delta (CK1δ) and to the use of said inhibitors in the treatment of neurodegenerative disorders such as Alzheimer's disease.
• CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES
  申请人：Electrophoretics Limited

  公开号：US20160354375A1

  公开（公告）日：2016-12-08

  The invention relates to pharmaceutical compositions comprising casein kinase 1 delta (CK1δ) and to the use of said inhibitors in the treatment of neurodegenerative disorders such as Alzheimer's disease.
• Synthesis, characterization, carbonic anhydrase inhibitor activity, and docking studies of phenylthiazol-2(3h)-ylidene-isoquinoline-5-amine Derivatives
  作者：Nurcan Berber、Arif Sercan Şahutoğlu、Başak Gökçe、Kübra Çıkrıkçı、Nahit Gençer

  DOI：10.1016/j.molstruc.2023.136061

  日期：2023.11