(2R)-5-[[(2S)-3-[[(2S)-1-[[(1R)-2-[2-[[(3aR,4S)-4-(carbamoyloxymethyl)-3a-methoxy-3,7-dimethyl-5,8-dioxo-1,2,3,4-tetrahydroimidazo[1,5-a]indol-6-yl]amino]ethyldisulfanyl]-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic 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: (2R)-5-[[(2S)-3-[[(2S)-1-[[(1R)-2-[2-[[(3aR,4S)-4-(carbamoyloxymethyl)-3a-methoxy-3,7-dimethyl-5,8-dioxo-1,2,3,4-tetrahydroimidazo[1,5-a]indol-6-yl]amino]ethyldisulfanyl]-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• 化学式: C₄₆H₅₇N₁₅O₁₆S₂
• 分子量: 1140.2
• InChiKey: IMLCSZIXMKRZPF-OODRNGGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.7
• 重原子数：
  79
• 可旋转键数：
  29
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  533
• 氢给体数：
  14
• 氢受体数：
  25

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.