p-amidinophenyl benzoate | 40761-72-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: p-amidinophenyl benzoate
• 英文别名: Benzoesaeure-4'-amidinophenylester；4-Amidinophenyl benzoate；(4-carbamimidoylphenyl) benzoate
• CAS: 40761-72-6
• 化学式: C₁₄H₁₂N₂O₂
• 分子量: 240.261
• InChiKey: FXWXBLXPGAZOHE-UHFFFAOYSA-N

物化性质

• 沸点：
  393.6±44.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

反应信息

• 作为产物：
  描述：

  4-羟基苯甲亚氨酸甲酯盐酸盐 在 氨 作用下， 以 吡啶 、 甲醇 为溶剂， 反应 3.0h， 生成 p-amidinophenyl benzoate
  参考文献：
  名称：

  Synthesis and structure-activity study of protease inhibitors. III. Amidinophenols and their benzoil esters.

  摘要：

  多种amidinophenol衍生物（27-47）及其苯甲酸酯（4-26）被合成并评估了它们对胰蛋白酶、纤溶酶、激肽释放酶、凝血酶、Clr和Cls的抑制活性，以及体外补体介导的溶血作用。4-（β-脒基乙烯基）苯基4-胍基苯甲酸酯（15）和4-脒基-2-苯甲酰苯基4-胍基苯甲酸酯（26）被发现具有强大的抑制活性，前者的IC50值为9×10-8M（胰蛋白酶）和2×10-7M（Cls），后者的IC50值为3×10-8M（胰蛋白酶）和2×10-7M（Cls）。

  DOI：

  10.1248/cpb.32.4466

文献信息

• POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE
  申请人：Elysium Therapeutics, Inc.

  公开号：US20170100390A1

  公开（公告）日：2017-04-13

  The invention provides compositions and methods for the treatment or prevention of pain. The invention provides constructs whereby hydrolysis of the construct by a specified gastrointestinal enzyme directly, or indirectly, releases an opioid when taken orally as prescribed. The gastrointestinal enzyme mediated release of opioid from constructs of the invention is designed to be attenuated in vivo via a saturation or inhibition mechanism when overdoses are ingested. The invention further provides constructs that are highly resistant to oral overdose, chemical tampering, and abuse via non-oral routes of administration.

  这项发明提供了用于治疗或预防疼痛的组合物和方法。该发明提供了构造物，通过指定的胃肠酶在口服时直接或间接地水解构造物释放阿片类物质。该发明中构造物中的胃肠酶介导的阿片类物质释放被设计为在体内通过饱和或抑制机制在摄入过量时减弱。该发明进一步提供了对口服过量、化学篡改和通过非口服途径滥用高度抵抗的构造物。
• BENZOATE COMPOUND
  申请人：SCOHIA PHARMA, INC.

  公开号：US20210403420A1

  公开（公告）日：2021-12-30

  The present invention provides a benzoic acid ester compound that has an enteropeptidase inhibitory effect, and use of the compound as a medicament for the treatment or prevention of obesity, diabetes mellitus, or the like. A compound represented by the formula (I) or a salt thereof has an enteropeptidase inhibitory effect and is useful as a medicament for the treatment or prevention of obesity, diabetes mellitus, or the like: [in the formula, each symbol is as defined in the specification].

  本发明提供了一种苯甲酸酯化合物，具有肠肽酶抑制作用，并将该化合物用作治疗或预防肥胖、糖尿病等疾病的药物。由式（I）表示的化合物或其盐具有肠肽酶抑制作用，并可用作治疗或预防肥胖、糖尿病等疾病的药物。【在公式中，每个符号如规范中定义】。
• Enzyme derivatives for use in the treatment of venous thrombosis
  申请人：Beecham Group Limited

  公开号：US04285932A1

  公开（公告）日：1981-08-25

  A pharmaceutical composition which comprises a pharmaceutically acceptable carrier together with an in vivo fibrinolytic enzyme as defined herein wherein the catalytic site essential for fibrinolytic activity is blocked by a group which is removable by hydrolysis at a rate such that the pseudo-first order rate constant for hydrolysis is in the range 10.sup.-6 sec.sup.-1 to 10.sup.-3 sec.sup.-1 in isotonic aqueous media at pH 7.4 at 37.degree. C.; is useful in the treatment of venous thrombosis.

  一种药物组合物，包括一种体内纤溶酶和一种药学上可接受的载体，所述纤溶酶的催化活性所必需的催化位点被一种可通过水解去除的基团阻塞，其在等渗pH 7.4的水溶介质中37°C下的伪一级速率常数在10^-6 sec^-1到10^-3 sec^-1范围内；用于治疗静脉血栓。
• Enzyme derivatives for use in the treatment of venous thrombosis, compositions containing them and their preparation
  申请人：BEECHAM GROUP PLC

  公开号：EP0009879A1

  公开（公告）日：1980-04-16

  A pharmaceutical composition which comprises a pharmaceutically acceptable carrier together with an in vivo fibrinolytic enzyme as defined herein wherein the catalytic site essential for fibrinolytic activity is blocked by a group which is removable by hydrolysis at a rate such that the pseudo-first order rate constant for hydrolysis is in the range 10-6 sec-1 to 10-3sec-1 in isotonic aqueous media at pH 7.4 at 37°C; is useful in the treatment of venous thrombosis.

  一种药物组合物，它包括药学上可接受的载体和本文定义的体内纤维蛋白溶解酶，其中纤维蛋白溶解活性所必需的催化位点被一个基团阻断，该基团可通过水解去除，水解的假一阶速率常数在 10-6 秒-1 到 10-3 秒-1 之间，在 37°C pH 值为 7.4 的等渗水介质中；该药物组合物可用于治疗静脉血栓。
• Enzyme derivatives, and their preparation
  申请人：BEECHAM GROUP PLC

  公开号：EP0028489A1

  公开（公告）日：1981-05-13

  An enzyme derivative comprises a binary complex between streptokinase and plasminogen in which the catalytic site essential for fibrinolytic activity is blocked by a group which is removable by hydrolysis such that the pseudo-first order rate constant for hydrolysis of the derivative is in the range 10-6sec-1to 10-3 sec-1 in isotonic aqueous media at pH 7.4 at 37°C, and is useful in the treatment of venous thrombosis.

  一种酶衍生物包括链激酶和纤溶酶原之间的二元复合物，其中对纤维蛋白溶解活性至关重要的催化位点被一个基团阻断，该基团可通过水解作用移除，因此在 37°C pH 值为 7.4 的等渗水介质中，该衍生物水解的假一阶速率常数在 10-6 秒-1 至 10-3 秒-1 之间，可用于治疗静脉血栓。