[(1S,2R,3S,5S,6S,16E,18E,20S,21S)-11-chloro-21-hydroxy-12,20-bis(hydroxymethyl)-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl] (2S)-2-[methyl-[3-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]sulfanylpropanoyl]amino]propanoate

• 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,20S,21S)-11-chloro-21-hydroxy-12,20-bis(hydroxymethyl)-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl] (2S)-2-[methyl-[3-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]sulfanylpropanoyl]amino]propanoate
• 化学式: C₄₅H₅₈ClN₅O₁₂S
• 分子量: 928.5
• InChiKey: CAMOFYIAHAGNIW-OHYRFQQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  64
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  262
• 氢给体数：
  6
• 氢受体数：
  13

文献信息

• ANTIBODY-DRUG CONJUGATES AND METHODS
  申请人：Genentech, Inc.

  公开号：US20140128580A1

  公开（公告）日：2014-05-08

  The present invention relates to antibody-drug conjugate compounds of Formula I: Ab-(L-D) p I where one or more maytansinoid drug moieties (D) are covalently linked by L to an antibody (Ab) which binds to an ErbB receptor, or which binds to one or more tumor-associated antigens or cell-surface receptors. These compounds may be used in methods of diagnosis or treatment of cancer, and other diseases and disorders.