(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(1R)-2-[1-[3-[(2E)-2-[5-[2-[2-[[(7R)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]ethylamino]-5-oxopentan-2-ylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]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: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(1R)-2-[1-[3-[(2E)-2-[5-[2-[2-[[(7R)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]ethylamino]-5-oxopentan-2-ylidene]hydrazinyl]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid
• 化学式: C₅₃H₆₄N₁₆O₁₆S₃
• 分子量: 1277.4
• InChiKey: DOXGYAXTQNVICY-VIRACQFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6
• 重原子数：
  88
• 可旋转键数：
  33
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  555
• 氢给体数：
  12
• 氢受体数：
  26

文献信息

• Vitamin-Receptor Binding Drug Delivery Conjugates
  申请人：Endocyte, Inc.

  公开号：US20160220694A1

  公开（公告）日：2016-08-04

  The invention describes a vitamin receptor binding drug delivery conjugate, and preparations therefor. The drug delivery conjugate consists of a vitamin receptor binding moiety, a bivalent linker (L), and a drug. The vitamin receptor binding moiety includes vitamins, and vitamin receptor binding analogs and derivatives thereof, and the drug includes analogs and derivatives thereof. The vitamin receptor binding moiety is covalently linked to the bivalent linker, and the drug, or the analog or the derivative thereof, is covalently linked to the bivalent linker, wherein the bivalent linker (L) includes components such as spacer linkers, releasable linkers, and heteroatom linkers, and combinations thereof. Methods and pharmaceutical compositions for eliminating pathogenic cell populations using the drug delivery conjugate are also described.

  该发明描述了一种维生素受体结合药物传递共轭物及其制备方法。药物传递共轭物由维生素受体结合基团、双价连接剂（L）和药物组成。维生素受体结合基团包括维生素、维生素受体结合类似物及其衍生物，药物包括类似物及其衍生物。维生素受体结合基团与双价连接剂共价连接，药物或其类似物或衍生物与双价连接剂共价连接，其中双价连接剂（L）包括间隔连接剂、可释放连接剂和杂原子连接剂以及其组合。还描述了利用该药物传递共轭物消除病原细胞群的方法和药物组合物。
• [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.