[(1S,2R,3S,5S,6S,16E,18E,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] (2R)-2-[acetyl(methyl)amino]-2,6-dimethyl-3-oxo-6-sulfanylheptanoate

• 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: [(1S,2R,3S,5S,6S,16E,18E,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] (2R)-2-[acetyl(methyl)amino]-2,6-dimethyl-3-oxo-6-sulfanylheptanoate
• 化学式: C₄₀H₅₆ClN₃O₁₁S
• 分子量: 822.4
• InChiKey: ZRJXNVPAESXMIG-GYROYVIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  175
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• METHODS FOR FORMULATING ANTIBODY DRUG CONJUGATE COMPOSITIONS
  申请人：ImmunoGen, Inc.

  公开号：EP3188761A1

  公开（公告）日：2017-07-12
• US20140271688A1
  申请人：——

  公开号：US20140271688A1

  公开（公告）日：2014-09-18
• [EN] METHODS FOR FORMULATING ANTIBODY DRUG CONJUGATE COMPOSITIONS<br/>[FR] PROCÉDÉS DE FORMULATION DE COMPOSITIONS DE CONJUGUÉS ANTICORPS-MÉDICAMENTS
  申请人：IMMUNOGEN INC

  公开号：WO2016036861A1

  公开（公告）日：2016-03-10

  The present invention provides improved methods for formulating therapeutic compositions comprising an antibody drug conjugate ("ADC") that reduce potency variability between batches of ADC and provide for administration of such therapeutic compositions within a narrow intended range. The current invention provides a novel method for formulating a therapeutic composition comprising an antibody drug conjugate ("ADC") based on drug concentration, thereby narrowing variability in potency between batches of ADC, minimizing toxicity and increasing the efficacy of drug formulated according to this method.