3-[2-[(2S,4R,6S,7S,9R,10R)-10-methoxy-6-methyl-4-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-5,8-dioxa-1,11-diazatricyclo[7.4.0.02,7]tridecan-11-yl]-2-oxoethyl]-1-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: 3-[2-[(2S,4R,6S,7S,9R,10R)-10-methoxy-6-methyl-4-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-5,8-dioxa-1,11-diazatricyclo[7.4.0.02,7]tridecan-11-yl]-2-oxoethyl]-1-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
• 化学式: C₄₄H₄₈N₄O₁₇S
• 分子量: 936.9
• InChiKey: OCCNFLKQADUORF-OGRUQURXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  66
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  302
• 氢给体数：
  4
• 氢受体数：
  19

文献信息

• NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS
  申请人：GENENTECH, INC.

  公开号：US20140227299A1

  公开（公告）日：2014-08-14

  The present invention relates to antibody-drug conjugate compounds of Formula I: Ab-(L-D) p I where one or more nemorubicin metabolite or analog drug moieties (D) are covalently attached by a linker (L) to an antibody (Ab) which binds to one or more tumor-associated antigens or cell-surface receptors. These compounds may be useful in methods of diagnosis or treatment of cancer, and other diseases and disorders.
• US9492553B2
  申请人：——

  公开号：US9492553B2

  公开（公告）日：2016-11-15