O-[(2R,3R,4R,5R)-6-(1,3-dioxoisoindol-2-yl)oxy-2,3,4,5-tetrakis(phenylmethoxy)hexyl] N,N-dimethylcarbamothioate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: O-[(2R,3R,4R,5R)-6-(1,3-dioxoisoindol-2-yl)oxy-2,3,4,5-tetrakis(phenylmethoxy)hexyl] N,N-dimethylcarbamothioate
• 化学式: C₄₅H₄₆N₂O₈S
• 分子量: 774.9
• InChiKey: BIPXZPNHYJCOID-BMGLKWEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  56
• 可旋转键数：
  21
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• NOVELCROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC CONJUGATES, AND SYNTHETIC METHODS THEREOF
  申请人：CellMosaic, Inc.

  公开号：US20140206903A1

  公开（公告）日：2014-07-24

  The invention provides novel chemical entities based on sugar alcohols. These new chemical entities are biocompatible and biodegradable. The molecules can be made in a single and pure form. The molecular weights of these molecules range from small (<1000 Da) to large (1000-120,000 Da). The sugar alcohol-based molecules can have functional groups throughout the molecule for crosslinking compounds, such as the preparation of antibody-drug conjugates, or to facilitate the delivery of therapeutic proteins, peptides, siRNA, and chemotherapeutic drugs. Also provided are new conjugate entities prepared through sugar alcohol molecules. Methods of synthesizing sugar alcohol-based molecules and conjugates are also within the scope of the invention.

  本发明提供了基于糖醇的新型化合物。这些新型化合物具有生物相容性和生物可降解性。这些分子可以以单一纯形式制备。这些分子的分子量范围从小分子（<1000 Da）到大分子（1000-120,000 Da）。基于糖醇的分子可以在整个分子中具有功能性基团，用于交联化合物，例如制备抗体药物偶联物，或促进治疗性蛋白质、肽、siRNA和化学治疗药物的传递。还提供了通过糖醇分子制备的新型偶联实体。本发明还涉及制备基于糖醇的分子和偶联物的方法。
• NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF
  申请人：CellMosaic, Inc.

  公开号：US20170065726A1

  公开（公告）日：2017-03-09

  The invention provides novel chemical entities based on sugar alcohols. These new chemical entities are biocompatible and biodegradable. The molecules can be made in a single and pure form. The molecular weights of these molecules range from small (<1000 Da) to large (1000-120,000 Da). The sugar alcohol-based molecules can have functional groups throughout the molecule for crosslinking compounds, such as the preparation of antibody-drug conjugates, or to facilitate the delivery of therapeutic proteins, peptides, siRNA, and chemotherapeutic drugs. Also provided are new conjugate entities prepared through sugar alcohol molecules. Methods of synthesizing sugar alcohol-based molecules and conjugates are also within the scope of the invention.
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  公开号：US8907079B2

  公开（公告）日：2014-12-09
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