(4R,5S,6S)-((4-chlorobenzoyl)oxy)methyl 3-(((3S,5S)-1-((((4-chlorobenzoyl)oxy)methoxy)carbonyl)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (4R,5S,6S)-((4-chlorobenzoyl)oxy)methyl 3-(((3S,5S)-1-((((4-chlorobenzoyl)oxy)methoxy)carbonyl)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• 英文别名: (4-chlorobenzoyl)oxymethyl (4R,5S,6S)-3-[(3S,5S)-1-[(4-chlorobenzoyl)oxymethoxycarbonyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• 化学式: C₃₄H₃₅Cl₂N₃O₁₁S
• 分子量: 764.637
• InChiKey: XLTPUWJSNDCNSI-ALUDVLAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  51
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  195
• 氢给体数：
  1
• 氢受体数：
  12

文献信息

• [EN] MEROPENEM DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE MÉROPÉNÈME ET LEURS UTILISATIONS
  申请人：KALA PHARMACEUTICALS INC

  公开号：WO2014144285A1

  公开（公告）日：2014-09-18

  The present invention provides novel derivative of β-lactam antibiotics, such as meropenem. The inventive compounds include compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrugs thereof. Also provided are particles (e.g., nanoparticles) and pharmaceutical compositions thereof that are mucus penetrating. The inventive particles and pharmaceutical compositions may be useful in delivering an inventive compound to the respiratory tract of a subject. The invention further provides methods of using and kits including the inventive compounds, particles thereof, and/or pharmaceutical compositions thereof for treating and/or preventing a pulmonary disease (e.g., a respiratory tract infection).

  本发明提供了β-内酰胺抗生素的新型衍生物，如美罗培南。该创新化合物包括式(I)的化合物，以及其药学上可接受的盐、溶剂合物、水合物、多晶形、共晶体、互变异构体、立体异构体、同位素标记衍生物和前药。还提供了粒子（例如纳米粒子）和含有这些粒子的药物组合物，这些粒子能穿透黏液。这些创新的粒子和药物组合物可能有助于将创新的化合物输送到受试者的呼吸道。本发明还提供了使用方法和包括创新化合物、其粒子和/或药物组合物的试剂盒，用于治疗和/或预防肺部疾病（例如呼吸道感染）。
• Meropenem Derivatives and Uses Thereof
  申请人：KALA PHARMACEUTICALS, INC.

  公开号：US20160039823A1

  公开（公告）日：2016-02-11

  The present invention provides novel derivative of β-lactam antibiotics, such as meropenem. The inventive compounds include compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrugs thereof. Also provided are particles (e.g., nanoparticles) and pharmaceutical compositions thereof that are mucus penetrating. The inventive particles and pharmaceutical compositions may be useful in delivering an inventive compound to the respiratory tract of a subject. The invention further provides methods of using and kits including the inventive compounds, particles thereof, and/or pharmaceutical compositions thereof for treating and/or preventing a pulmonary disease (e.g., a respiratory tract infection).

  本发明提供了新型的β-内酰胺类抗生素衍生物，例如美罗培南。该发明化合物包括公式（I）的化合物，以及其药学上可接受的盐、溶剂化物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记衍生物和前药。还提供了粒子（例如纳米粒子）和药物组合物，其具有黏液穿透性。这些发明的粒子和药物组合物可用于将发明化合物输送到受试者的呼吸道。本发明还提供了使用发明化合物、其粒子和/或药物组合物治疗和/或预防肺部疾病（例如呼吸道感染）的方法和包含发明化合物、其粒子和/或药物组合物的工具包。
• Meropenem derivatives and uses thereof
  申请人：Kala Pharmaceuticals, Inc.

  公开号：US10392388B2

  公开（公告）日：2019-08-27

  The present invention provides novel derivative of β-lactam antibiotics, such as meropenem. The inventive compounds include compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrugs thereof. Also provided are particles (e.g., nanoparticles) and pharmaceutical compositions thereof that are mucus penetrating. The inventive particles and pharmaceutical compositions may be useful in delivering an inventive compound to the respiratory tract of a subject. The invention further provides methods of using and kits including the inventive compounds, particles thereof, and/or pharmaceutical compositions thereof for treating and/or preventing a pulmonary disease (e.g., a respiratory tract infection).

  本发明提供了β-内酰胺类抗生素的新型衍生物，如美罗培南。本发明化合物包括式（I）化合物及其药学上可接受的盐、溶液剂、水合物、多晶型、共晶体、同系物、立体异构体、同位素标记衍生物和原药。还提供了具有粘液穿透性的颗粒（如纳米颗粒）及其药物组合物。本发明的颗粒和药物组合物可用于向受试者的呼吸道输送本发明的化合物。本发明进一步提供了包括本发明化合物、其颗粒和/或其药物组合物的使用方法和试剂盒，用于治疗和/或预防肺部疾病（如呼吸道感染）。
• MEROPENEM DERIVATIVES AND USES THEREOF
  申请人：Kala Pharmaceuticals, Inc.

  公开号：EP2968274A1

  公开（公告）日：2016-01-20
• US9725451B2
  申请人：——

  公开号：US9725451B2

  公开（公告）日：2017-08-08