(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(1R)-2-[[4-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carbonyl]oxymethyl]phenyl]disulfanyl]-1-carboxyethyl]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)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(1R)-2-[[4-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carbonyl]oxymethyl]phenyl]disulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid
• 化学式: C₄₆H₄₇N₁₁O₁₅S₂
• 分子量: 1058.1
• InChiKey: KJJJZCMZSCFIQX-FJMUXXQRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  74
• 可旋转键数：
  23
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  426
• 氢给体数：
  8
• 氢受体数：
  21

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.
• BIVALENT LINKERS AND CONJUGATES THEREOF
  申请人：Endocyte, Inc.

  公开号：US20170320826A1

  公开（公告）日：2017-11-09

  Bivalent linkers to be included in or for preparing vitamin, drug, diagnostic agent, and/or imaging agent conjugates are described.