4-[[5-[[(2S)-1-[[(3R,5R,16E,18E)-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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-1-oxobutane-2-sulfonic acid

• 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: 4-[[5-[[(2S)-1-[[(3R,5R,16E,18E)-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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-1-oxobutane-2-sulfonic acid
• 化学式: C₄₈H₆₆ClN₅O₁₆S₃
• 分子量: 1100.7
• InChiKey: KBMNQHMALCKDLU-DRZOKUQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  73
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  336
• 氢给体数：
  4
• 氢受体数：
  18

文献信息

• 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.