5-[[(1R)-2-[[4-[[(4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-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]-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 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-[[(1R)-2-[[4-[[(4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-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]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• 化学式: C₄₅H₄₆N₁₂O₁₄S₂
• 分子量: 1043.1
• InChiKey: IPSUNBAVGTVBJO-ZURHXSLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  73
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  443
• 氢给体数：
  9
• 氢受体数：
  21

文献信息

• [EN] METHODS FOR TREATING CANCER USING COMBINATION THERAPIES<br/>[FR] MÉTHODES POUR TRAITER LE CANCER AU MOYEN DE POLYTHÉRAPIES
  申请人：ENDOCYTE INC

  公开号：WO2014085575A1

  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 xc-inhibitor for the treatment of cancer or inflammation. Also described are invitro assays utilizing a targeted ligand conjugate in combination with a thiol inhibitor or a system xc- inhibitor.