[(2S)-1-[[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-[4-(4-methylpiperazin-1-yl)phenyl]-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

• 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: [(2S)-1-[[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-[4-(4-methylpiperazin-1-yl)phenyl]-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
• 化学式: C₅₅H₆₁N₉O₁₀
• 分子量: 1008.1
• InChiKey: IBCNAMIYIWZERM-UYLRMMBQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  74
• 可旋转键数：
  17
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  216
• 氢给体数：
  4
• 氢受体数：
  14

文献信息

• [EN] PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-PYRROLOBENZODIAZÉPINE
  申请人：SPIROGEN SARL

  公开号：WO2015052535A1

  公开（公告）日：2015-04-16

  Conjugates of specific PBD dimers with an antibody that binds to CD22, the antibody comprising a VH domain having the sequence according to SEQ ID NO. 1.

  将特定PBD二聚体与结合到CD22的抗体结合，该抗体包括具有根据SEQ ID NO. 1序列的VH结构域。
• [EN] HUMANIZED ANTI-TN-MUC1 ANTIBODIES AND THEIR CONJUGATES<br/>[FR] ANTICORPS ANTI-TN-MUC1 HUMANISÉS ET LEURS CONJUGUÉS
  申请人：CANCER REC TECH LTD

  公开号：WO2015159076A1

  公开（公告）日：2015-10-22

  Humanized anti-Tn-MUC1 antibodies and conjugates thereof. Conjugates comprising pyrrolobenzodiazepines (PBDs) having a labile protecting group in the form of a linker to the antibody are described.

  人性化抗Tn-MUC1抗体及其结合物。描述了包含吡咯苯并二氮杂环己烷（PBDs）的结合物，其具有作为连接物的不稳定保护基团。
• PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF
  申请人：Spirogen Sàrl

  公开号：US20140120118A1

  公开（公告）日：2014-05-01

  A compound which is selected from A: B: and C: and salts and solvates thereof, as well as conjugates thereof with cell binding agent.

  一种从A、B和C中选择的化合物及其盐和溶剂化物，以及与细胞结合剂共轭的化合物。
• PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES
  申请人：MEDIMMUNE LIMITED

  公开号：US20160263242A1

  公开（公告）日：2016-09-15

  Conjugates of specific PBD dimers with an antibody that that binds to CD19, the antibody comprising a VH domain having the sequence according to any one of SEQ ID NOs. 1, 2, 3, 4, 5 or 6, optionally further comprising a VL domain having the sequence according to any one of SEQ ID NOs. 7, 8, 9, 10, 11 or 12.

  特定PBD二聚体的共轭物与结合CD19的抗体，该抗体包括具有以下任一序列的VH结构域SEQ ID NOs. 1, 2, 3, 4, 5或6，可选地进一步包括具有以下任一序列的VL结构域SEQ ID NOs. 7, 8, 9, 10, 11或12。
• PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES
  申请人：ADC THERAPEUTICS SÀRL

  公开号：US20150273078A1

  公开（公告）日：2015-10-01

  Conjugates of an antibody that binds to PSMA with PBD dimers.

  结合PSMA的抗体的共轭物，带有PBD二聚体。