(2R)-6-[2-[[(2R)-2-carboxy-2-[[(2S)-2-methyl-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethyl]disulfanyl]ethoxycarbonylamino]-2-[2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]hexanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R)-6-[2-[[(2R)-2-carboxy-2-[[(2S)-2-methyl-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethyl]disulfanyl]ethoxycarbonylamino]-2-[2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]hexanoic acid
• 化学式: C₃₉H₅₆N₁₀O₁₄S₂
• 分子量: 953.1
• InChiKey: DYLMVTCZLJKUQN-PTABBHTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  65
• 可旋转键数：
  31
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  456
• 氢给体数：
  13
• 氢受体数：
  23

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.