(7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-19-[[(2R)-2-[3-[1-[2-[6-[1,1-dimethyl-2-[(1E,3E,5E)-5-(1,1,3-trimethylbenzo[e]indol-2-ylidene)penta-1,3-dienyl]benzo[e]indol-3-ium-3-yl]hexanoylamino]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

• 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: (7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-19-[[(2R)-2-[3-[1-[2-[6-[1,1-dimethyl-2-[(1E,3E,5E)-5-(1,1,3-trimethylbenzo[e]indol-2-ylidene)penta-1,3-dienyl]benzo[e]indol-3-ium-3-yl]hexanoylamino]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
• 化学式: C98H119N14O14S3+
• 分子量: 1813.3
• InChiKey: TUPLCKNDBVWNND-PYKCZHASSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  129
• 可旋转键数：
  34
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  484
• 氢给体数：
  14
• 氢受体数：
  19

文献信息

• Targeted Conjugates Encapsulated in Particles and Formulations Thereof
  申请人：Blend Therapeutics, Inc.

  公开号：US20140187501A1

  公开（公告）日：2014-07-03

  Particles, including nanoparticles and microparticles, and pharmaceutical formulations thereof, containing conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety via a linker have been designed which can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.

  包括纳米颗粒和微粒在内的微粒子以及其药物配方，其中含有活性剂的共轭物，例如治疗、预防或诊断剂，通过连接体连接到靶向基团，已经设计出来，可以提供改善活性剂的时间空间传递和/或改善生物分布的效果。提供了制备共轭物、微粒子和其配方的方法。提供了将这些配方用于需要的受试者的方法，例如用于治疗或预防癌症或传染病。