N-(2-((3-acetylphenyl)amino)-4′-methyl-[4,5′-bithiazol]-2′-yl)-benzamide | 315704-35-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(2-((3-acetylphenyl)amino)-4′-methyl-[4,5′-bithiazol]-2′-yl)-benzamide
• 英文别名: N-(2-(3-acetylphenylamino)-4'-methyl-4,5'-bithiazol-2'-yl)benzamide；N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
• CAS: 315704-35-9
• 化学式: C₂₂H₁₈N₄O₂S₂
• 分子量: 434.543
• InChiKey: XZMHJYWMCRQSSI-UHFFFAOYSA-N

物化性质

• 密度：
  1.388±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  141
• 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 19.0h， 生成 N-(2-((3-acetylphenyl)amino)-4′-methyl-[4,5′-bithiazol]-2′-yl)-benzamide
  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

• Ligase E3 RNF185 inhibitors and uses thereof
  申请人：Commissariat à l'Énergie Atomique et aux Énergies Alternatives

  公开号：EP2835423A1

  公开（公告）日：2015-02-11

  The present relates to the use of an E3 ligase RNF185 inhibitor for treating cystic fibrosis and chronic obstructive pulmonary disease.

  本发明涉及一种用于治疗囊性纤维化和慢性阻塞性肺病的 E3 连接酶 RNF185 抑制剂。
• Rapid quantitative assay to measure CFTR function in a primary intestinal culture model
  申请人：UMC Utrecht Holding B.V.

  公开号：US10006904B2

  公开（公告）日：2018-06-26

  The invention relates to an assay for diagnosing a disease or affliction that affects fluid uptake or secretion or for studying the effectiveness of one or more drugs for treating the disease or affliction, wherein the assay comprises measuring swelling of one or more organoids.

  本发明涉及一种检测方法，用于诊断影响液体吸收或分泌的疾病或痛苦，或研究一种或多种治疗疾病或痛苦的药物的有效性，其中检测方法包括测量一种或多种有机体的肿胀。
• Identifying drug candidates for treating polycystic kidney disease using organoids generated from primary cells
  申请人：UMC Utrecht Holding B.V.

  公开号：US11035852B2

  公开（公告）日：2021-06-15

  The invention relates to an assay for diagnosing a disease or affliction that affects fluid uptake or secretion or for studying the effectiveness of one or more drugs for treating the disease or affliction, wherein the assay comprises measuring swelling of one or more organoids.

  本发明涉及一种检测方法，用于诊断影响液体吸收或分泌的疾病或痛苦，或研究一种或多种治疗疾病或痛苦的药物的有效性，其中检测方法包括测量一种或多种有机体的肿胀。
• Combination treatment of sarcoglycanopathies
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

  公开号：US11298348B2

  公开（公告）日：2022-04-12

  Sarcoglycanopathies are autosomal recessive diseases caused by mutations in the one of the genes coding for any sarcoglycans (SG). The inventors previously showed that the application of small molecules developed to rescue ΔF508-CFTR trafficking, and known as CFTR correctors, improved the maturation of several α-sarcoglycan mutants that were consequently rescued at the plasma membrane (WO 014086687). Now, the inventors show that some specific CFTR correctors provide additive and even synergic effect when administered in combination.

  肌糖蛋白病是一种常染色体隐性遗传病，由编码肌糖蛋白（SG）的一个基因突变引起。本发明人之前的研究表明，应用为挽救ΔF508-CFTR转运而开发的小分子（称为CFTR校正剂），可以改善几种α-肌糖突变体的成熟，从而在质膜上得到挽救（WO 014086687）。现在，本发明者证明，某些特定的 CFTR 校正器在联合使用时可产生叠加甚至协同效应。
• A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL
  申请人：UMC Utrecht Holding B.V.

  公开号：EP2795322B1

  公开（公告）日：2015-12-09