6-[(2-乙酰氧基苯甲酰基)氨基]己酸 | 22834-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 6-[(2-乙酰氧基苯甲酰基)氨基]己酸
• 英文名称: Hexanoic acid, 6-[[2-(acetyloxy)benzoyl]amino]-
• 英文别名: 6-[(2-acetyloxybenzoyl)amino]hexanoic acid
• CAS: 22834-42-0
• 化学式: C₁₅H₁₉NO₅
• 分子量: 293.32
• InChiKey: LQYJKKYQXMMYCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  513.7±35.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-[(2-乙酰氧基苯甲酰基)氨基]己酸 在 sodium hydroxide 作用下， 生成 N-Salicyloyl-ε-aminocapronsaeure
  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
• 作为产物：
  描述：

  邻乙酰水杨酰氯 、 6-氨基己酸 在 sodium hydroxide 作用下， 反应 12.0h， 生成 6-[(2-乙酰氧基苯甲酰基)氨基]己酸
  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

• Composition of 1,3,4-selenadiazole containing compounds with pharmacological activity
  申请人：HANGZHOU JENNIFER BIOTECH CO., LTD

  公开号：US10975048B2

  公开（公告）日：2021-04-13

  The invention belongs to the field of biomedical research involving the 1,3,4-selenyldiazo derivatives that have cell protective activity. Because there are not so many heterocyclic selenium compounds, we synthesized a new type of selenium analog of BPTES. As the isoacceptor of BPTES, the compounds have antitumor activity, anti-oxidation and cell protection function. Currently many drugs contain the thiodiazo motif, so synthesis of selenyldiazo functional group could further optimize these drugs and are important in new drug development and application.

  本发明属于生物医学研究领域，涉及具有细胞保护活性的 1,3,4-硒基二偶氮衍生物。由于杂环硒化合物不多，我们合成了一种新型的 BPTES 硒类似物。作为 BPTES 的等位受体，这些化合物具有抗肿瘤活性、抗氧化和细胞保护功能。目前，许多药物都含有硫代偶氮基团，因此硒基偶氮官能团的合成可以进一步优化这些药物，在新药开发和应用中具有重要意义。