2-[2-[[3-hydroxy-2-methyl-6-[[(3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]ethyldisulfanyl]ethyl prop-2-enoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: 2-[2-[[3-hydroxy-2-methyl-6-[[(3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]ethyldisulfanyl]ethyl prop-2-enoate
• 化学式: C₃₅H₃₉NO₁₅S₂
• 分子量: 777.8
• InChiKey: UMLUMHGTFFKVNU-GCLRHXBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  53
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  295
• 氢给体数：
  6
• 氢受体数：
  17

文献信息

• NANOPARTICLE, LIPOSOMES, POLYMERS, AGENTS AND PROTEINS MODIFIED WITH REVERSIBLE LINKERS
  申请人：DeSimone Joseph M.

  公开号：US20140081012A1

  公开（公告）日：2014-03-20

  Pharmaceutical, chemical and biological agents containing a reversible disulfide linker are described. These agents can also be covalently bound or contained in delivery vehicles for delivering the agents to desired targets or areas. Also described are delivery vehicles which contain an agent having a reversible disulfide linker and to vehicles that are covalently linked to the agent containing a reversible disulfide linker. The modifications described herein can modify properties of the agents and vehicles, thereby providing desired solubility, stability, hydrophobicity and targeting while the reversibility of the linker can leave the agent to which it is attached free from residual chemical groups after being reduced.

  本文描述了含有可逆二硫键连接剂的制药、化学和生物制剂。这些制剂也可以共价结合或包含在传递载体中，以将制剂传递到所需的目标或区域。还描述了包含具有可逆二硫键连接剂的制剂的传递载体，以及与含有可逆二硫键连接剂的制剂共价链接的载体。本文所描述的修饰可以修改制剂和载体的性质，从而提供所需的溶解度、稳定性、疏水性和定向性，而连接剂的可逆性可以使其附着的制剂在还原后不留下残留的化学基团。