(3R,6R)-6-[[(4R)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-9-carbamimidamido-3-[[1-carboxy-2-[[3-[[2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamoyl]-5-oxononanoic 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: (3R,6R)-6-[[(4R)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-9-carbamimidamido-3-[[1-carboxy-2-[[3-[[2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]amino]-3-oxopropyl]disulfanyl]ethyl]carbamoyl]-5-oxononanoic acid
• 化学式: C₆₇H₆₈ClN₁₇O₁₅S₂
• 分子量: 1450.9
• InChiKey: GFUPNTURPVVVDA-INKHLPPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  102
• 可旋转键数：
  34
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  564
• 氢给体数：
  17
• 氢受体数：
  22

文献信息

• Methods For Treating Cancer Using Combination Therapies
  申请人：ENDOCYTE, INC.

  公开号：US20140154702A1

  公开（公告）日：2014-06-05

  Described are methods, uses, and kits for utilizing a targeted ligand conjugate in combination with a thiol inhibitor or a system x c − inhibitor for the treatment of cancer or inflammation. Also described are in vitro assays utilizing a targeted ligand conjugate in combination with a thiol inhibitor or a system x c − inhibitor.