(2R)-2-[[(2S)-2-acetamido-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2-[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxycarbonyloxy]ethyldisulfanyl]propanoic 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)-2-[[(2S)-2-acetamido-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]-3-[2-[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethoxycarbonyloxy]ethyldisulfanyl]propanoic acid
• 化学式: C₄₁H₅₇ClN₁₀O₁₄S₃
• 分子量: 1045.6
• InChiKey: CBQLRNVNACMWCG-JWFPIOAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  69
• 可旋转键数：
  29
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  426
• 氢给体数：
  11
• 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.