methyl (2S,4R)-1-[4-[5-[4-(2-ethoxycarbonyl-4-hydroxypyrrolidine-1-carbonyl)-2-methoxy-5-nitrophenoxy]pentoxy]-2-nitro-5-phenylmethoxybenzoyl]-4-hydroxypyrrolidine-2-carboxylate

• 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: methyl (2S,4R)-1-[4-[5-[4-(2-ethoxycarbonyl-4-hydroxypyrrolidine-1-carbonyl)-2-methoxy-5-nitrophenoxy]pentoxy]-2-nitro-5-phenylmethoxybenzoyl]-4-hydroxypyrrolidine-2-carboxylate
• 化学式: C40H46N4O16
• 分子量: 838.8
• InChiKey: FARCCQJLOLAQQW-CZVBLDPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  60
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  262
• 氢给体数：
  2
• 氢受体数：
  16

文献信息

• PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF
  申请人：MEDIMMUNE LIMITED

  公开号：EP2968585A1

  公开（公告）日：2016-01-20
• [EN] PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF<br/>[FR] PYRROLOBENZODIAZÉPINES ET LEURS CONJUGUÉS
  申请人：SPIROGEN SARL

  公开号：WO2014140174A1

  公开（公告）日：2014-09-18

  A conjugate of formula (A): as described in claim 1. The conjugate comprises a pyrrolobenzodiazepine (PBD) compound with a linker for connecting to a cell binding agent, wherein the linker is attached in a cleavable manner to the C7 position of the PBD. The cell binding agent is preferably an antibody. The invention also provides the PBD compound with the linking unit attached and intermediates for their synthesis. The conjugate is used for treating a proliferative disease in a subject, preferably cancer.