N-((5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl)butyramide

• 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: N-((5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl)butyramide
• 英文别名: N-[(5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl]butanamide；N-[(5-chloro-8-hydroxy-7-quinolyl)-phenyl-methyl]butanamide；N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]butanamide
• 化学式: C₂₀H₁₉ClN₂O₂
• 分子量: 354.836
• InChiKey: RSHNZQIRXYERPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DE GRP78 ET LEURS UTILISATIONS
  申请人：[en]THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：WO2022169834A2

  公开（公告）日：2022-08-11

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules as defined within Formula I (as defined herein) which function as inhibitors of glucose-regulated protein 78 (GRP78) within cancer cells and/or immune cells, and which function as effective therapeutic agents for treating, ameliorating, and preventing various forms of cancer (e.g., pancreatic cancer), viral infections (e.g. SARS-CoV-2), and inflammatory diseases. In addition, this invention also relates to a new class of PROTACs having Formulas II, III and IV (as defined herein) which function as degraders of GRP78 within cancer and/or immune cells. Pharmaceutical compositions comprising said compounds of Formulas I, II, III, or IV are also within the scope of the present invention.