N'-[1-[[(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]propan-2-yl]-N-[2-[[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N'-methylpentanediamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N'-[1-[[(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]propan-2-yl]-N-[2-[[2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N'-methylpentanediamide
• 化学式: C₄₉H₆₇ClN₈O₁₅
• 分子量: 1043.6
• InChiKey: VFSPZLYXZYLCMB-BPFWJTHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  73
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  293
• 氢给体数：
  6
• 氢受体数：
  15

文献信息

• [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：WO2014134457A2

  公开（公告）日：2014-09-04

  The invention provides linker compounds and cytotoxic compounds that are useful for forming a CBA-drug conjugate 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.