4-(dimethoxymethyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide | 1610339-55-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(dimethoxymethyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
• 英文别名: 4-(dimethoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
• CAS: 1610339-55-3
• 化学式: C₁₈H₁₇N₃O₃S
• 分子量: 355.417
• InChiKey: DIZBMHHTGSTLCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(吡啶-2-基)噻唑-2-胺 在 盐酸 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 53.0h， 生成 4-(dimethoxymethyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
  参考文献：
  名称：

  [EN] IDENTIFICATION OF COMPOUNDS WHICH INHIBIT ATG8-ATG3 PROTEIN-PROTEIN INTERACTION AND THEIR USE AS ANTIPARASITICAL AGENTS
  [FR] IDENTIFICATION DE COMPOSÉS QUI INHIBENT L'INTERACTION PROTÉINE-PROTÉINE ATG8-ATG3 ET LEUR UTILISATION COMME AGENTS ANTIPARASITAIRES

  摘要：

  本发明提供了一种可以阻断原始复合子生物体中与自噬有关的Atg8-Atg3蛋白-蛋白相互作用的化合物或其药用可接受的盐、溶剂合物、立体异构体或前药。还提供了包含这些化合物的药物组合物以及它们用于抑制和治疗各种寄生虫病的用途。

  公开号：

  WO2015164850A1

文献信息

• Identification of an Atg8-Atg3 Protein–Protein Interaction Inhibitor from the Medicines for Malaria Venture Malaria Box Active in Blood and Liver Stage <i>Plasmodium falciparum</i> Parasites
  作者：Adelaide U.P. Hain、David Bartee、Natalie G. Sanders、Alexia S. Miller、David J. Sullivan、Jelena Levitskaya、Caren Freel Meyers、Jürgen Bosch

  DOI：10.1021/jm401675a

  日期：2014.6.12

  Atg8 is a ubiquitin-like autophagy protein in eukaryotes that is covalently attached (lipidated) to the elongating autophagosomal membrane. Autophagy is increasingly appreciated as a target in diverse diseases from cancer to eukaryotic parasitic infections. Some of the autophagy machinery is conserved in the malaria parasite, Plasmodium. Although Atg8's function in the parasite is not well understood, it is essential for Plasmodium growth and survival and partially localizes to the apicoplast, an indispensable organelle in apicomplexans. Here, we describe the identification of inhibitors from the Malaria Medicine Venture Malaria Box against the interaction of PfAtg8 with its E2-conjugating enzyme, PfAtg3, by surface plasmon resonance. Inhibition of this protein-protein interaction prevents PfAtg8 lipidation with phosphatidylethanolamine. These small molecule inhibitors share a common scaffold and have activity against both blood and liver stages of infection by Plasmodium falciparum. We have derivatized this scaffold into a functional platform for further optimization.
• IDENTIFICATION OF COMPOUNDS WHICH INHIBIT ATG8-ATG3 PROTEIN-PROTEIN INTERACTION AND THEIR USE AS ANTIPARASITICAL AGENTS
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20170044150A1

  公开（公告）日：2017-02-16

  The present invention provides compounds or a pharmaceutically acceptable salts, solvates, stereoisomers, or prodrugs thereof which can block the Atg8-Atg3 protein-protein interaction, which is associated with autophagy in apicomplexan organisms. Pharmaceutical compositions comprising these compounds and their use for the suppression and treatment of various parasitical diseases are also provided.
• [EN] IDENTIFICATION OF COMPOUNDS WHICH INHIBIT ATG8-ATG3 PROTEIN-PROTEIN INTERACTION AND THEIR USE AS ANTIPARASITICAL AGENTS<br/>[FR] IDENTIFICATION DE COMPOSÉS QUI INHIBENT L'INTERACTION PROTÉINE-PROTÉINE ATG8-ATG3 ET LEUR UTILISATION COMME AGENTS ANTIPARASITAIRES
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2015164850A1

  公开（公告）日：2015-10-29

  The present invention provides compounds or a pharmaceutically acceptable salts, solvates, stereoisomers, or prodrugs thereof which can block the Atg8-Atg3 protein-protein interaction, which is associated with autophagy in apicomplexan organisms. Pharmaceutical compositions comprising these compounds and their use for the suppression and treatment of various parasitical diseases are also provided.

  本发明提供了一种可以阻断原始复合子生物体中与自噬有关的Atg8-Atg3蛋白-蛋白相互作用的化合物或其药用可接受的盐、溶剂合物、立体异构体或前药。还提供了包含这些化合物的药物组合物以及它们用于抑制和治疗各种寄生虫病的用途。