1-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]-3-[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]-3-[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea
• 化学式: C₄₃H₃₆Cl₂N₈O₅
• 分子量: 815.7
• InChiKey: FONKWHRXTPJODV-MIHMCVIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  58
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  185
• 氢给体数：
  8
• 氢受体数：
  5

文献信息

• Bifunctional cytotoxic agents containing the CTI pharmacophore
  申请人：PFIZER INC.

  公开号：US11365263B2

  公开（公告）日：2022-06-21

  The present invention is directed to novel bifunctional CTI-CTI and CBI-CTI dimers of the formula: F1-L1-T-L2-F2 where F1, L1, T, L2 and F2 are as defined herein, useful for the treatment for proliferative diseases, where the inventive dimers can function as stand-alone drugs, payloads in antibody-drug-conjugates (ADCs), and linker-payload compounds useful in connection with the production or administration of such ADCs; and to compositions including the aforementioned dimers, linker-payloads and ADCs, and methods for using these dimers, linker-payloads and ADCs, to treat pathological conditions including cancer.

  本发明涉及式中的新型双功能 CTI-CTI 和 CBI-CTI 二聚体： F1-L1-T-L2-F2 其中F1、L1、T、L2和F2如本文所定义，可用于治疗增殖性疾病，本发明的二聚体可作为独立药物、抗体-药物共轭物（ADC）中的有效载荷以及与生产或施用此类ADC有关的连接体-有效载荷化合物；以及包括上述二聚体、连接体-载荷和 ADC 的组合物，以及使用这些二聚体、连接体-载荷和 ADC 治疗包括癌症在内的病理状况的方法。
• BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE
  申请人：PFIZER INC.

  公开号：US20210061923A1

  公开（公告）日：2021-03-04

  The present invention is directed to novel bifunctional CTI-CTI and CBI-CTI dimers of the formula: F 1 -L 1 -T-L 2 -F 2 where F 1 , L 1 , T, L 2 and F 2 are as defined herein, useful for the treatment for proliferative diseases, where the inventive dimers can function as stand-alone drugs, payloads in antibody-drug-conjugates (ADCs), and linker-payload compounds useful in connection with the production or administration of such ADCs; and to compositions including the aforementioned dimers, linker-payloads and ADCs, and methods for using these dimers, linker-payloads and ADCs, to treat pathological conditions including cancer.