(6aS)-3-[5-[[(6aS)-2-methoxy-8-[4-[3-(methylamino)propoxy]phenyl]-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-(4-methoxyphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: (6aS)-3-[5-[[(6aS)-2-methoxy-8-[4-[3-(methylamino)propoxy]phenyl]-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-(4-methoxyphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
• 化学式: C₄₈H₅₁N₅O₈
• 分子量: 825.9
• InChiKey: JEJYRKUTOVGJLT-ZPGRZCPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  61
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• ACTIVATED CARBON FILTRATION FOR PURIFICATION OF BENZODIAZEPINE ADCS
  申请人：SEATTLE GENETICS, INC.

  公开号：US20160039870A1

  公开（公告）日：2016-02-11

  Disclosed are methods of purifying mixtures comprising benzoidiazepine antibody-drug conjugates.
• US9453046B2
  申请人：——

  公开号：US9453046B2

  公开（公告）日：2016-09-27
• [EN] ACTIVATED CARBON FILTRATION FOR PURIFICATION OF BENZODIAZEPINE ADCs<br/>[FR] FILTRATION PAR CHARBON ACTIF POUR LA PURIFICATION D'ADC DE BENZODIAZÉPINE
  申请人：SEATTLE GENETICS INC

  公开号：WO2014143622A1

  公开（公告）日：2014-09-18

  Disclosed are methods of purifying mixtures comprising benzoidiazepine antibody-drug conjugates.
• [EN] CYCLODEXTRIN AND ANTIBODY-DRUG CONJUGATE FORMULATIONS<br/>[FR] FORMULATIONS DE CONJUGUÉS ANTICORPS-MÉDICAMENT ET DE CYCLODEXTRINE
  申请人：SEATTLE GENETICS INC

  公开号：WO2014165119A1

  公开（公告）日：2014-10-09

  Disclosed are formulations, including both liquid and lyophilized formulations, comprising a benzodiazepine antibody-drug conjugate (ADC) and a cyclodextrin. Also disclosed are methods of purifying mixtures comprising benzodiazepine antibody-drug conjugates and process drug-related impurities.