2-{[7-(3-氨基-2,4,6-三碘苯基)庚酰]氧代}-1-({[7-(3-氨基-2,4,6-三碘苯基)庚酰]氧代}甲基)乙基(9Z)-十八碳-9-烯酸酯 | 161466-45-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 中文名称: 2-{[7-(3-氨基-2,4,6-三碘苯基)庚酰]氧代}-1-({[7-(3-氨基-2,4,6-三碘苯基)庚酰]氧代}甲基)乙基(9Z)-十八碳-9-烯酸酯
• 英文名称: 1,3-bis[7-(3-amino-2,4,6-triiodophenyl)heptanoyloxy]propan-2-yl (Z)-octadec-9-enoate
• CAS: 161466-45-1
• 化学式: C₄₇H₆₈I₆N₂O₆
• 分子量: 1518.5
• InChiKey: WPURVAFCMUEHIC-KTKRTIGZSA-N

物化性质

• 沸点：
  993.5±65.0 °C(Predicted)
• 密度：
  1.747±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.7
• 重原子数：
  61
• 可旋转键数：
  37
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Blood-pool carrier for lipophilic imaging agents
  申请人：——

  公开号：US20040258744A1

  公开（公告）日：2004-12-23

  A surface-modified lipoprotein-like oil-in-water emulsion useful as a blood-pool selective delivery vehicle for lipophilic imaging agents or lipophilic derivatives of water-soluble imaging agents. The blood-pool selective delivery vehicle remains in the blood for several hours, shows very little early hepatic sequestration, and is cleared from the blood within 24 hours. The mean diameter of the oil phase is less than 150 nm which minimizes sequestration by the reticuloendothelial system. The surface of the oil phase is modified with a polyethyl glycol-modified phospholipid to prevent normal interactions with the receptor sites of the hepatocytes. In radiographic imaging, radioactive or stable, synthetic or semi-synthetic polyhalogenated triglycerides, such as 2-oleoylglycerol-1,3-bis[7-(3-amino-2,4,6-triiodophenyl)heptanoate], or lipid soluble derivatives of traditional water-soluble contrast agents, such as aliphatic esters of iopanoic, diatrizoic, and acetrizoic acid, may be incorporated into the lipophilic core of a lipoprotein-like emulsion particle.

  一种表面修饰的类脂蛋白水包油型乳剂，可作为亲脂成像剂或水溶性成像剂的亲脂衍生物的血池选择性给药载体。这种具有血池选择性的运载工具可在血液中停留数小时，很少出现早期肝螯合，并可在 24 小时内从血液中清除。油相的平均直径小于 150 纳米，可最大限度地减少网状内皮系统的螯合作用。油相表面经聚乙二醇改性磷脂修饰，可防止与肝细胞受体位点发生正常的相互作用。在放射成像中，放射性或稳定的合成或半合成多卤化甘油三酯，如 2-油酰甘油-1,3-双[7-（3-氨基-2,4,6-三碘苯基）庚酸酯&rsqb；或传统水溶性造影剂的脂溶性衍生物，如碘苯甲酸、二噻三酸和乙酰苯甲酸的脂肪酯，都可以加入脂蛋白样乳剂颗粒的亲脂核心中。
• LIPOPHILIC CONTRAST AGENTS FOR USE IN HEPATOCYTE-SELECTIVE OIL-IN-WATER EMULSIONS
  申请人：MOLECULAR BIOSYSTEMS, INC.

  公开号：EP0854855A1

  公开（公告）日：1998-07-29
• EP0854855A4
  申请人：——

  公开号：EP0854855A4

  公开（公告）日：1999-09-01
• HEPATOCYTE-SELECTIVE OIL-IN-WATER EMULSION
  申请人：THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：EP0871431A2

  公开（公告）日：1998-10-21
• BLOOD-POOL CARRIER FOR LIPOPHILIC IMAGING AGENTS
  申请人：THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：EP0973553A2

  公开（公告）日：2000-01-26