(3-Acetyloxy-2-carbonochloridoylphenyl) acetate | 100037-63-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (3-Acetyloxy-2-carbonochloridoylphenyl) acetate
• CAS: 100037-63-6
• 化学式: C₁₁H₉ClO₅
• 分子量: 256.642
• InChiKey: LUZZMSMSDHELTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  374.6±32.0 °C(Predicted)
• 密度：
  1.342±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-Acetyloxy-2-carbonochloridoylphenyl) acetate 在 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 嘧啶肟草醚
  参考文献：
  名称：

  Biological activity of the new herbicide LGC-40863 {benzophenoneO-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime}

  摘要：

  DOI：

  10.1002/(sici)1096-9063(199710)51:2<109::aid-ps585>3.0.co;2-7
• 作为产物：
  描述：

  2,6-二羟基苯甲酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 (3-Acetyloxy-2-carbonochloridoylphenyl) acetate
  参考文献：
  名称：

  Biological activity of the new herbicide LGC-40863 {benzophenoneO-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime}

  摘要：

  DOI：

  10.1002/(sici)1096-9063(199710)51:2<109::aid-ps585>3.0.co;2-7

文献信息

• 4-[4-[(2-Hydroxybenzoyl)amino]phenyl]butyric Acid as a Novel Oral Delivery Agent for Recombinant Human Growth Hormone
  作者：Andrea Leone-Bay、Koc-Kan Ho、Rajesh Agarwal、Robert A. Baughman、Kiran Chaudhary、Frenel DeMorin、Lise Genoble、Campbell McInnes、Christine Lercara、Sam Milstein、Doris O'Toole、Donald Sarubbi、Bruce Variano、Duncan R. Paton

  DOI：10.1021/jm960038f

  日期：1996.1.1

  A series of N-acetylated, non-alpha, aromatic amino acids was prepared and shown to promote the absorption of recombinant human growth hormone (rhGH) from the gastrointestinal tract. Seventy compounds in this family were tested in vivo in rats. Of the compounds tested, 4-[4-[(2-hydroxybenzoyl)amino]phenyl]butyric acid was identified as a preclinical candidate and was used to demonstrate the oral delivery of rhGH in primates. A significant positive correlation was found between the relative log k' of the delivery agents, as determined by HPLC on an immobilized artificial membrane (IAM) column, and serum rhGH concentrations following oral or colonic dosing in rats. Structure-activity relationships have also been developed on the basis of electronic effects and hydrogen-bonding characteristics of the aromatic amide substituents.
• Synthesis and Evaluation of Compounds That Facilitate the Gastrointestinal Absorption of Heparin
  作者：Andrea Leone-Bay、Duncan R. Paton、John Freeman、Christine Lercara、Doris O'Toole、David Gschneidner、Eric Wang、Elizabeth Harris、Connie Rosado、Theresa Rivera、Aldonna DeVincent、Monica Tai、Frank Mercogliano、Rajesh Agarwal、Harry Leipold、Robert A. Baughman

  DOI：10.1021/jm970811m

  日期：1998.3.1

  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.
• US3954744A
  申请人：——

  公开号：US3954744A

  公开（公告）日：1976-05-04
• US3965093A
  申请人：——

  公开号：US3965093A

  公开（公告）日：1976-06-22
• US4029669A
  申请人：——

  公开号：US4029669A

  公开（公告）日：1977-06-14