5-[[2-amino-3-[[3-carboxy-1-[[1-carboxy-2-[2-[[1-(chloromethyl)-3-[5-(1H-indole-2-carbonylamino)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxycarbonylamino]ethyldisulfanyl]ethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]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 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-[[2-amino-3-[[3-carboxy-1-[[1-carboxy-2-[2-[[1-(chloromethyl)-3-[5-(1H-indole-2-carbonylamino)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxycarbonylamino]ethyldisulfanyl]ethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• 化学式: C₆₃H₆₁ClN₁₆O₁₅S₂
• 分子量: 1381.86
• InChiKey: YDSYDYBVHSFWQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  97
• 可旋转键数：
  30
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  530
• 氢给体数：
  15
• 氢受体数：
  22

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。
• Methods for treating cancer using combination therapies
  申请人：Endocyte, Inc.

  公开号：US10010618B2

  公开（公告）日：2018-07-03

  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 in vitro assays utilizing a targeted ligand conjugate in combination with a thiol inhibitor or a system xc− inhibitor.

  描述了利用靶向配体共轭物与硫醇抑制剂或系统 xc- 抑制剂结合治疗癌症或炎症的方法、用途和试剂盒。还描述了利用靶向配体共轭物与硫醇抑制剂或系统 xc- 抑制剂结合的体外试验。
• Bivalent linkers and conjugates thereof
  申请人：Endocyte, Inc.

  公开号：US10647676B2

  公开（公告）日：2020-05-12

  This invention pertains to bivalent linkers, and the synthesis and use thereof. In particular, this invention pertains to the synthesis and use of bivalent linkers in preparing vitamin, drug, diagnostic agent, and/or imaging agent conjugates. The present invention includes divalent linkers, which are alternatively referred to as bivalent linkers, that may be used to couple, link, bond, attach, or otherwise associate two or more chemical entities. This coupling, linking, attachment, or association may be used in the formation of conjugates of such chemical entities. Those chemical entities include targeting ligands and receptor-binding ligands, such as vitamins. Those chemical entities also include drugs for treating various diseases or disease states, and imaging and diagnostic agents for diagnosing, detecting, or otherwise monitoring various diseases or disease states.

  本发明涉及二价连接体及其合成和使用。特别是，本发明涉及二价连接体在制备维生素、药物、诊断剂和/或成像剂共轭物中的合成和使用。本发明包括二价连接体，也可称为二价连接体，可用于耦合、连接、键合、附着或以其它方式连接两个或多个化学实体。这种偶联、连接、附着或联合可用于形成此类化学实体的共轭物。这些化学实体包括靶向配体和受体结合配体，如维生素。这些化学实体还包括用于治疗各种疾病或疾病状态的药物，以及用于诊断、检测或以其他方式监测各种疾病或疾病状态的成像剂和诊断剂。
• 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.
• [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.