4-[[6-(5-amino-2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-[[6-(5-amino-2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
• 化学式: C₂₄H₂₆N₆O₄S
• 分子量: 494.6
• InChiKey: KPORCRLINHTFNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• [EN] 4-PYRIMIDINYLAMINO-BENZENESULFONAMIDE DERIVATIVES AND THEIR USE FOR THE INHIBITION OF POLO-LIKE KINASE 1 (PLK1) FOR THE TREATMENT OF CANCER AND THEIR USE FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] DÉRIVÉS DE 4-PYRIMIDINYLAMINO-BENZÈNESULFONAMIDE ET LEUR UTILISATION DANS L'INHIBITION DE LA PLK1 (POLO-LIKE KINASE 1) POUR LE TRAITEMENT DU CANCER ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES INFECTIEUSES
  申请人：VICHEM CHEMIE KUTATÓ KFT

  公开号：WO2014106762A1

  公开（公告）日：2014-07-10

  The present invention relates to 4-pyrimidinylamino-benzenesulfonamide derivatives of general formula (I) and pharmaceutically acceptable salts, solvates, hydrates, regioisomeric and polymorphic forms thereof, processes for manufacturing of them, the use of them, as well as pharmaceutical compositions containing at least one of them as pharmaceutically active agent(s) together with pharmaceutically acceptable carrier, excipient and/or diluents, especially for the inhibition of polo-like kinases (PLKs) and the treatment of cancer. Said 4-pyrimidinylamino-benzenesulfonamide compounds have been also identified as new drug candidates for the prevention and/or treatment of infectious diseases like bacterial diseases e.g. tuberculosis, including the currently multidrug-resistant tuberculosis (MDR-TB), extensively drug-resistant tuberculosis (XDR-TB) as well as for preventing tuberculosis.˙

  本发明涉及一般式(I)的4-嘧啶基氨基苯磺酰胺衍生物及其药学上可接受的盐、溶剂化合物、水合物、构异体和多晶形式，其制造过程，以及它们的用途，以及至少包含其中一种作为药用活性剂的药物组合物，连同药学上可接受的载体、赋形剂和/或稀释剂，特别用于抑制波罗样激酶（PLKs）并治疗癌症。所述的4-嘧啶基氨基苯磺酰胺化合物还被鉴定为预防和/或治疗细菌性疾病（如结核病）等传染病的新药候选化合物，包括目前的多药耐药结核病（MDR-TB）、广泛耐药结核病（XDR-TB）以及预防结核病。