N-(2-((4-(dimethylamino)phenyl)amino)-4′-methyl-[4,5′-bithiazol]-2′-yl)propionamide | 315704-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2-((4-(dimethylamino)phenyl)amino)-4′-methyl-[4,5′-bithiazol]-2′-yl)propionamide
• 英文别名: N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
• CAS: 315704-51-9
• 化学式: C₁₈H₂₁N₅OS₂
• 分子量: 387.53
• InChiKey: KBUSKUPVTSOYFO-UHFFFAOYSA-N

物化性质

• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-乙酰基-2-氨基-4-甲基噻唑 在 氢溴酸 、 溴 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 11.5h， 生成 N-(2-((4-(dimethylamino)phenyl)amino)-4′-methyl-[4,5′-bithiazol]-2′-yl)propionamide
  参考文献：
  名称：

  Discovery of Multitarget Agents Active as Broad-Spectrum Antivirals and Correctors of Cystic Fibrosis Transmembrane Conductance Regulator for Associated Pulmonary Diseases

  摘要：

  Enteroviruses (EVs) are among the most frequent infectious agents in humans worldwide and represent the leading cause of upper respiratory tract infections. No drugs for the treatment of EV infections are currently available. Recent studies have also linked EV infection with pulmonary exacerbations, especially in cystic fibrosis (CF) patients, and the importance of this link is probably underestimated. The aim of this work was to develop a new class of multitarget agents active both as broad-spectrum antivirals and as correctors of the F508del-cystic fibrosis transmembrane conductance regulator (CFTR) folding defect responsible for >90% of CF cases. We report herein the discovery of the first small molecules able to simultaneously act as correctors of the F508del-CFTR folding defect and as broad-spectrum antivirals against a panel of EVs representative of all major species.

  DOI：

  10.1021/acs.jmedchem.6b01521

文献信息

• Fibrosis Inhibiting Compounds and Methods of Use Thereof in the Prevention or Treatment of Fibrosing Diseases
  申请人：Gomer Richard H.

  公开号：US20160272713A1

  公开（公告）日：2016-09-22

  The present disclosure relates to a method of inhibiting fibrocyte or profibrotic macrophage formation by administering a CD209-binding compound or antibody to monocytes in a target location in an amount and for a time sufficient to suppress formation of fibrocytes or profibrotic macrophages from the monocytes. It also relates to compounds and pharmaceutical formulations for use in such methods. The disclosure further relates to compositions usable with these methods and method of detecting CD209-binding compounds and antibodies able to inhibit fibrocyte or profibrotic macrophage formation.

  本公开涉及一种通过向靶位点的单核细胞中投与CD209结合的化合物或抗体来抑制成纤维细胞或促纤维化巨噬细胞形成的方法，所述化合物或抗体的用量和时间足以抑制单核细胞形成成纤维细胞或促纤维化巨噬细胞。此外，本公开还涉及用于这些方法的化合物和制药配方。本公开进一步涉及用于这些方法的组合物以及检测能够抑制成纤维细胞或促纤维化巨噬细胞形成的CD209结合化合物和抗体的方法。
• COMPOSITIONS ASSOCIATED WITH AND METHODS OF MANAGING NEUTROPHIL MOVEMENT
  申请人：THE TEXAS A&M UNIVERSITY SYSTEM

  公开号：EP3052480B1

  公开（公告）日：2020-11-11
• FIBROSIS INHIBITING COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF FIBROSING DISEASES
  申请人：THE TEXAS A&M UNIVERSITY SYSTEM

  公开号：EP3065548B1

  公开（公告）日：2019-08-21
• Compositions Associated with and Methods of Managing Neutrophil Movement
  申请人：Gomer Richard H.

  公开号：US20160208002A1

  公开（公告）日：2016-07-21

  The disclosure also relates to a method of reducing the number of neutrophils in a body region by administering a CD209-binding compound or antibody in an amount and for a time sufficient to suppress neutrophil movement into the body region. In particular, it relates to a method of reducing the number of neutrophils in a body region suffering from an acute injury or from a chronic or long-term disease. The disclosure further relates to compositions usable with these methods and method of detecting CD209-binding compounds and antibodies able to affect neutrophil movement or adhesion.
• Discovery of Multitarget Agents Active as Broad-Spectrum Antivirals and Correctors of Cystic Fibrosis Transmembrane Conductance Regulator for Associated Pulmonary Diseases
  作者：Sabrina Tassini、Liang Sun、Kristina Lanko、Emmanuele Crespan、Emily Langron、Federico Falchi、Miroslava Kissova、Jorge I. Armijos-Rivera、Leen Delang、Carmen Mirabelli、Johan Neyts、Marco Pieroni、Andrea Cavalli、Gabriele Costantino、Giovanni Maga、Paola Vergani、Pieter Leyssen、Marco Radi

  DOI：10.1021/acs.jmedchem.6b01521

  日期：2017.2.23

  Enteroviruses (EVs) are among the most frequent infectious agents in humans worldwide and represent the leading cause of upper respiratory tract infections. No drugs for the treatment of EV infections are currently available. Recent studies have also linked EV infection with pulmonary exacerbations, especially in cystic fibrosis (CF) patients, and the importance of this link is probably underestimated. The aim of this work was to develop a new class of multitarget agents active both as broad-spectrum antivirals and as correctors of the F508del-cystic fibrosis transmembrane conductance regulator (CFTR) folding defect responsible for >90% of CF cases. We report herein the discovery of the first small molecules able to simultaneously act as correctors of the F508del-CFTR folding defect and as broad-spectrum antivirals against a panel of EVs representative of all major species.