(2S)-5-[2-[2-[[(2S)-2-carboxy-2-[[(2S)-2-methyl-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethyl]disulfanyl]ethoxycarbonyl]hydrazinyl]-2-[[4-[(2,4-diaminopteridin-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: (2S)-5-[2-[2-[[(2S)-2-carboxy-2-[[(2S)-2-methyl-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethyl]disulfanyl]ethoxycarbonyl]hydrazinyl]-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• 化学式: C₃₇H₅₂N₁₂O₁₅S₂
• 分子量: 969.0
• InChiKey: OPINWQVSGQEZOT-BPAFCHBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  66
• 可旋转键数：
  28
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  497
• 氢给体数：
  15
• 氢受体数：
  24

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.
• DRUG DELIVERY CONJUGATES CONTAINING UNNATURAL AMINO ACIDS AND METHODS FOR USING
  申请人：ENDOCYTE, INC.

  公开号：US20150258203A1

  公开（公告）日：2015-09-17

  Described herein are drug delivery conjugates for targeted therapy. In particular, described herein are drug delivery conjugates that include polyvalent linkers comprising one or more unnatural amino acids that are useful for treating cancers and inflammatory diseases. The invention described herein pertains to drug delivery conjugates for targeted therapy. In particular, the invention described herein pertains to drug delivery conjugates that include polyvalent linkers comprising one or more unnatural amino acids.
• US9662402B2
  申请人：——

  公开号：US9662402B2

  公开（公告）日：2017-05-30