N-[(2S)-4-[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]-3-oxobutan-2-yl]-N,4-dimethyl-4-(pyridin-2-yldisulfanyl)pentanamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: N-[(2S)-4-[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]-3-oxobutan-2-yl]-N,4-dimethyl-4-(pyridin-2-yldisulfanyl)pentanamide
• 化学式: C₄₄H₅₉ClN₄O₉S₂
• 分子量: 887.5
• InChiKey: ZUXOPIDYFGRTLI-BLSOYVAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  60
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  211
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS
  申请人：ImmunoGen, Inc.

  公开号：EP3566750A2

  公开（公告）日：2019-11-13

  The invention provides linker compounds and cytotoxic compounds that are useful for forming CBA-drug conjugates, and conjugates so formed. Such conjugates and/or cytotoxic compounds may be effective for treating a range of diseases, such as cancer, with a relatively high activity at a relatively low, non-toxic dose.

  本发明提供了可用于形成 CBA-药物共轭物的连接体化合物和细胞毒性化合物，以及由此形成的共轭物。这种共轭物和/或细胞毒性化合物可有效治疗癌症等一系列疾病，以相对较低的无毒剂量发挥相对较高的活性。
• CONJUGATES COMPRISING CELL-BINDING AGENTS AND MAYTANSINOIDS AS CYTOTOXIC AGENTS
  申请人：IMMUNOGEN, INC.

  公开号：US20150359903A1

  公开（公告）日：2015-12-17

  The invention provides linker compounds containing a disulfide group, and maytansin-derived cytotoxic compounds that are useful for forming a CBA-drug conjugates, and conjugates so formed. Such conjugates and/or cytotoxic compounds may be effective for treating a range of diseases, such as cancer, with a relatively high activity at a relatively low, non-toxic dose.
• US9999680B2
  申请人：——

  公开号：US9999680B2

  公开（公告）日：2018-06-19
• [EN] CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS<br/>[FR] CONJUGUÉS COMPRENANT DES AGENTS DE LIAISON CELLULAIRE (CBA) ET DES AGENTS CYTOTOXIQUES
  申请人：IMMUNOGEN INC

  公开号：WO2014134483A2

  公开（公告）日：2014-09-04

  The invention provides linker compounds and cytotoxic compounds that are useful for forming a CBA-drug conjugates, and conjugates so formed. Such conjugates and/or cytotoxic compounds may be effective for treating a range of diseases, such as cancer, with a relatively high activity at a relatively low, non-toxic dose.