N-{2-[(5-氯-2-甲氧基苯基)氨基]-4'-甲基-4,5'-联-1,3-噻唑-2'-基}苯甲酰胺 | 421580-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-{2-[(5-氯-2-甲氧基苯基)氨基]-4'-甲基-4,5'-联-1,3-噻唑-2'-基}苯甲酰胺
• 英文名称: Corr-4a
• 英文别名: N-[2-(5-chloro-2-methoxy-phenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]-benzamide；Corr4A；N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
• CAS: 421580-53-2
• 化学式: C₂₁H₁₇ClN₄O₂S₂
• mdl: MFCD02735533
• 分子量: 456.977
• InChiKey: RDOBOPJBMQURAT-UHFFFAOYSA-N

物化性质

• 密度：
  1.440±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  2-(噻唑-2-基)噻唑 、 N-{2-[(5-氯-2-甲氧基苯基)氨基]-4'-甲基-4,5'-联-1,3-噻唑-2'-基}苯甲酰胺 、 3-氯-2,4-戊二酮 、 硫脲 以 乙醇 为溶剂， 以5-Acetyl-2-amino-4-methylthiazole (5) was obtained in 90% yield的产率得到5-乙酰基-2-氨基-4-甲基噻唑
  参考文献：
  名称：

  Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof

  摘要：

  本发明提供了用于增加突变囊性纤维化跨膜传导调节因子蛋白（突变CFTR）活性的组合物、制药制剂和方法。该组合物、制药制剂和方法可用于突变CFTR相关的疾病的研究和治疗，如囊性纤维化。本发明的组合物和制药制剂可以包含本发明的一种或多种双噻唑含有化合物，或其类似物或衍生物。

  公开号：

  US20100273839A1
• 作为产物：
  描述：

  N-(5-(2-bromoacetyl)-4-methylthiazol-2-yl)benzamide 、 5-氯-2-甲氧基苯基硫脲 以 乙醇 为溶剂， 生成 N-{2-[(5-氯-2-甲氧基苯基)氨基]-4'-甲基-4,5'-联-1,3-噻唑-2'-基}苯甲酰胺
  参考文献：
  名称：

  4′-Methyl-4,5′-bithiazole-based correctors of defective ΔF508-CFTR cellular processing

  摘要：

  The synthesis and Delta F508-CFTR corrector activity of a 148-member methylbithiazole-based library are reported. Synthetic routes were devised and optimized to generate methylbithiazole analogs in four steps. Corrector potency and efficacy were assayed using epithelial cells expressing human Delta F508-CFTR. These structure-activity data establish that the bithiazole substructure plays a critical function; eight novel methylbithiazole correctors were identified with low micromolar potencies. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.037

文献信息

• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20160095858A1

  公开（公告）日：2016-04-07

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明涉及一种具有以下化学式I的化合物： 或其药用可接受的盐，其中R 1 ，R 2 ，R 3 ，W，X，Y，Z，n，o，p和q在此处定义，用于治疗CFTR介导的疾病，如囊性纤维化。本发明还涉及药物组合物、治疗方法和相关工具包。
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE
  申请人：VERTEX PHARMA

  公开号：WO2017173274A1

  公开（公告）日：2017-10-05

  The present disclosure features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R1, R2, W, X, Z, n, p, and Rings A and B are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present disclosure also features pharmaceutical compositions, method of treating, and kits thereof.

  本公开涉及一种具有化学式I的化合物：或其药用可接受的盐，其中R1、R2、W、X、Z、n、p以及环A和环B在此处被定义，用于治疗CFTR介导的疾病，如囊性纤维化。本公开还涉及药物组合物、治疗方法以及相关工具包。
• [EN] PYRIMINE COMPOUNDS AND METHODS OF MAKING AND USING SAME<br/>[FR] COMPOSÉS DE PYRAMINE AINSI QUE LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC

  公开号：WO2010151747A1

  公开（公告）日：2010-12-29

  Disclosed herein are pyrimidinyl compounds that are contemplated to be modulators of cystic fibrosis transmembrane regulators (CFTR), and methods of making and using same. Also provided are pharmaceutical compositions and methods of treating disorders associated with cystic fibrosis transmembrane regulators, such as airway inflammation, cystic fibrosis, and the like.

  本文披露了一种嘧啶基化合物，被认为是囊性纤维化跨膜调节蛋白（CFTR）的调节剂，并提供了制备和使用这些化合物的方法。还提供了与囊性纤维化跨膜调节蛋白相关的疾病的药物组合物和治疗方法，如气道炎症、囊性纤维化等。
• [EN] N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE<br/>[FR] DÉRIVÉS DE N- (PYRIDIN-2-YL) PYRIDINE-SULFONAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT D'UNE MALADIE
  申请人：NOVARTIS AG

  公开号：WO2018042316A1

  公开（公告）日：2018-03-08

  The invention relates to heterocyclic compounds of the formula (I) in which all of the variables are as defined in the specification; capable of modulating the activity of CFTR. The invention further provides a method for manufacturing compounds of the invention, and its therapeutic uses. The invention further provides methods to their preparation, to their medical use, in particular to their use in the treatment and management of diseases or disorders including Cystic fibrosis and related disorders.

  该发明涉及具有以下式（I）的杂环化合物，其中所有变量均如规范中定义；能够调节CFTR活性。该发明还提供了一种制造该发明化合物的方法，以及其治疗用途。该发明还提供了制备这些化合物的方法，它们的医疗用途，特别是它们在囊性纤维化和相关疾病或疾病的治疗和管理中的用途。
• Pyrimidine Compounds and Methods of Making and Using Same
  申请人：Chiang Phoebe

  公开号：US20110281873A1

  公开（公告）日：2011-11-17

  Disclosed herein are pyrimidinyl compounds that are contemplated to be modulators of cystic fibrosis transmembrane regulators (CFTR), and methods of making and using same. Also provided are pharmaceutical compositions and methods of treating disorders associated with cystic fibrosis transmembrane regulators, such as airway inflammation, cystic fibrosis, and the like.

  本文披露了嘧啶基化合物，被认为是囊性纤维化跨膜调节器（CFTR）的调节剂，并提供了制备和使用它们的方法。还提供了药物组合物和治疗与囊性纤维化跨膜调节器相关的疾病的方法，例如气道炎症，囊性纤维化等。