8-N(2-methoxybenzoyl)aminocaprylic acid | 204852-51-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 8-N(2-methoxybenzoyl)aminocaprylic acid
• 英文别名: 8-[(2-methoxybenzoyl)amino]octanoic Acid
• CAS: 204852-51-7
• 化学式: C₁₆H₂₃NO₄
• 分子量: 293.363
• InChiKey: NEZODXPENDHVCG-UHFFFAOYSA-N

物化性质

• 沸点：
  505.4±35.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-N(2-methoxybenzoyl)aminocaprylic acid 在 盐酸 、 聚合甲醛 作用下， 生成 8-N(2-methoxy-5-chloromethylbenzoyl)aminocaprylic acid
  参考文献：
  名称：

  Polymeric delivery agents and delivery agents compounds

  摘要：

  提供了用于传递活性物质的聚合传递剂、传递剂化合物和包含它们的组合物。同时还提供了给药和制备方法。

  公开号：

  US06627228B1
• 作为产物：
  描述：

  8-氨基辛酸 在 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 生成 8-N(2-methoxybenzoyl)aminocaprylic acid
  参考文献：
  名称：

  Synthesis and Evaluation of Compounds That Facilitate the Gastrointestinal Absorption of Heparin

  摘要：

  A family of novel compounds (delivery agents) that promote the gastrointestinal absorption of USP heparin in rats and primates has been discovered. The delivery agents in combination with heparin were administered either orally or intracolonically in an aqueous propylene glycol solution and caused dramatic increases in both plasma heparin concentrations (anti-Factor Xa) and clotting times (APTT). Using one of the most effective delivery agents in this series, an estimated relative bioavailability of 8% can be achieved following oral administration to cynomolgus monkeys. To establish a correlation between the in vivo data and an in vitro parameter, immobilized artificial membrane (IAM) chromatography was performed. Log relative k' values were correlated to the efficiency of oral heparin delivery.

  DOI：

  10.1021/jm970811m

文献信息

• COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS
  申请人：Sarubbi Donald J.

  公开号：US20090324540A1

  公开（公告）日：2009-12-31

  Carrier compounds and compositions therewith which are useful in the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  本发明提供了用于传递活性剂的载体化合物和组合物。同时还提供了其治疗方法和制备方法。
• POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS
  申请人：Milstein J. Sam

  公开号：US20070141022A1

  公开（公告）日：2007-06-21

  Polymeric delivery agents, delivery agent compounds and compositions comprising them which are useful in the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  本发明提供了用于传递活性物质的高分子传递剂、传递剂化合物和包含它们的组合物。同时还提供了用于制备和管理的方法。
• Polymeric delivery agents and delivery agent compounds
  申请人：Emisphere Technologies, Inc.

  公开号：US20030232085A1

  公开（公告）日：2003-12-18

  Polymeric delivery agents, delivery agent compounds and compositions comprising them which are useful in the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  本研究提供了可用于递送活性剂的聚合物递送剂、递送剂化合物和包含它们的组合物。还提供了给药和制备方法。
• Studies Directed at the Use of a Parallel Synthesis Matrix to Increase Throughput in an in Vivo Assay
  作者：Andrea Leone-Bay、John Freeman、Doris O'Toole、Connie Rosado-Gray、Sirpa Salo-Kostmayer、Monica Tai、Frank Mercogliano、Robert A. Baughman

  DOI：10.1021/jm990416r

  日期：2000.9.1

  Heparin is the anticoagulant of choice for hospitalized patients, but it is dosed only by injection because it is not absorbed following oral administration. We have discovered and prepared compounds (delivery agents) that facilitate the gastrointestinal absorption of heparin in rats, monkeys, and humans when given orally. We are currently developing a parallel synthesis approach to increase our delivery agent screening throughput in vivo. This approach has been used to produce micromolar quantities of compounds for testing in rats in a 5 x 5 parallel synthesis array. Using an amine benzoylation reaction sequence, 10 mixtures were prepared. These mixtures contained equal weight quantities of five N-substituted, non-alpha, amino acid delivery agents. Each of these mixtures was orally administered to rats in combination with heparin, and plasma clotting times (APTT) were measured to determine activity. Deconvolution of the data accurately identified the most active individual components. Independent synthesis of these compounds verified their activity. This parallel synthesis approach is an effective tool for the screening of oral heparin delivery agents and has increased screening throughput significantly.
• EP1146860A4
  申请人：——

  公开号：EP1146860A4

  公开（公告）日：2002-07-03