2-(2-Hydroxy-1-methoxyethoxy)butyl 4-[3-[[4-methyl-4-[(5-nitropyridin-2-yl)disulfanyl]pentanoyl]amino]propylamino]-4-oxobutanoate

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-(2-Hydroxy-1-methoxyethoxy)butyl 4-[3-[[4-methyl-4-[(5-nitropyridin-2-yl)disulfanyl]pentanoyl]amino]propylamino]-4-oxobutanoate
• 英文别名: 2-(2-hydroxy-1-methoxyethoxy)butyl 4-[3-[[4-methyl-4-[(5-nitropyridin-2-yl)disulfanyl]pentanoyl]amino]propylamino]-4-oxobutanoate
• 化学式: C25H40N4O9S2
• 分子量: 604.7
• InChiKey: LMHJBSYWRAHKDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  40
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  233
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• PROTEIN-POLYMER-DRUG CONJUGATES
  申请人：Mersana Therapeutics, Inc.

  公开号：US20150064130A1

  公开（公告）日：2015-03-05

  Auristatin compounds and conjugates thereof are provided herein. The conjugate comprises a protein based recognition-molecule (PBRM) and a polymeric carrier substituted with one or more -L D -D, the protein based recognition-molecule being connected to the polymeric carrier by L P . Each occurrence of D is independently an Auristatin compound. L D and L P are linkers connecting the therapeutic agent and PBRM to the polymeric carrier respectively. Also disclosed are polymeric scaffolds useful for conjugating with a PBRM to form a polymer-drug-PBRM conjugate described herein, compositions comprising the conjugates, methods of their preparation, and methods of treating various disorders with the conjugates or their compositions.

  本文提供了Auristatin化合物及其共轭物。该共轭物包括基于蛋白质的识别分子（PBRM）和多聚载体，该多聚载体被一个或多个-LD-D取代，其中，基于蛋白质的识别分子通过LP连接到多聚载体上。每个D的出现都是独立的Auristatin化合物。LD和LP是连接治疗剂和PBRM到多聚载体的连接器。还公开了用于与PBRM共轭形成描述的聚合物-药物-PBRM共轭物的聚合物支架，包括共轭物的组成，其制备方法以及使用共轭物或其组成物治疗各种疾病的方法。
• Protein-Polymer-Drug Conjugates
  申请人：MERSANA THERAPEUTICS, INC.

  公开号：US20140134127A1

  公开（公告）日：2014-05-15

  A drug conjugate is provided herein. The conjugate comprises a protein based recognition-molecule (PBRM) and a polymeric carrier substituted with one or more -L D -D, the protein based recognition-molecule being connected to the polymeric carrier by L P . Each occurrence of D is independently a therapeutic agent having a molecular weight ≦5 kDa. L D and L P are linkers connecting the therapeutic agent and PBRM to the polymeric carrier respectively. Also disclosed are polymeric scaffolds useful for conjugating with a PBRM to form a polymer-drug-PBRM conjugate described herein, compositions comprising the conjugates, methods of their preparation, and methods of treating various disorders with the conjugates or their compositions.

  本文提供了一种药物结合物。该结合物包括基于蛋白质的识别分子（PBRM）和多聚载体，该多聚载体被取代了一个或多个-LD-D，蛋白质基于识别分子通过LP连接到多聚载体上。D的每个出现都是分子量≦5 kDa的治疗剂。LD和LP是连接治疗剂和PBRM到多聚载体的连接剂。还披露了用于与PBRM结合形成聚合物-药物-PBRM结合物的聚合物支架，包括结合物的组合物，其制备方法以及使用结合物或其组合物治疗各种疾病的方法。
• US8821850B2
  申请人：——

  公开号：US8821850B2

  公开（公告）日：2014-09-02
• US9254339B2
  申请人：——

  公开号：US9254339B2

  公开（公告）日：2016-02-09