2-(4-氨基苯甲酰基)苯甲酸 | 181660-06-0

• 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: 2-(4-氨基苯甲酰基)苯甲酸
• 英文名称: 2-(4-aminobenzoyl)-benzoic acid
• 英文别名: 2-(4-aminobenzoyl)benzoic acid；2-(4-amino-benzoyl)-benzoic acid；2-(4-Amino-benzoyl)-benzoesaeure；4-aminobenzoyl-benzoic acid；o-(p-Aminobenzoyl)-benzoesaeure
• CAS: 181660-06-0
• 化学式: C₁₄H₁₁NO₃
• 分子量: 241.246
• InChiKey: XAOHJLJMIDUPHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-氨基苯甲酰基)苯甲酸 在 溶剂黄146 、 肼 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 ethyl 5-(4-chlorophenyl)-2-methyl-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate
  参考文献：
  名称：

  一些吡咯取代的芳基哒嗪酮和酞嗪酮衍生物及其降压活性。

  摘要：

  在这项工作中，一些2-非取代的/ 2-甲基-/ 2-（2-乙酰氧基乙基）-6- [4-（取代的吡咯-1-基）苯基] -4,5-二氢-3（2H）-哒嗪酮，己烯-2,5-二价壬基或1-芳基-苯甲酸酯反应，合成衍生物和2-非取代/ 2-甲基-4- [4-（取代吡咯-1-基）苯基] -1（2H）-酞嗪酮衍生物。 3-乙氧基戊-1,4-二酮与相应的2-取代/未取代的6-（4'-氨基苯基）-4,5-二氢-3（2H）-哒嗪酮或2-取代/未取代的4-（4'- Paal-Knorr吡咯合成条件下的氨基苯基）-（2H）-酞嗪酮。在体外和体内均检查了该化合物的降压活性。一些哒嗪酮衍生物显示出明显的活性。

  DOI：

  10.1016/j.ejmech.2004.09.005
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 ammonium hydroxide 、 copper(II) sulfate 作用下， 生成 2-(4-氨基苯甲酰基)苯甲酸
  参考文献：
  名称：

  US1654290

  摘要：

  公开号：

文献信息

• Amide thiadiazole inhibitors of plasminogen activator inhibitor-1
  申请人：Sartori Eric

  公开号：US20050143384A1

  公开（公告）日：2005-06-30

  Methods of treating disorders associated with elevated levels of PAI-1 are disclosed comprising administering to a patient in need thereof a therapeutically effective amount of at least one compound of formula at least one compound of formula (I), or a pharmaceutically-acceptable salt, prodrug, stereoisomer or solvate thereof, wherein: A is aryl or heteroaryl and R 1 —R 11 , are defined herein. The invention also pertains to pharmaceutical compositions and compounds within the scope of formula (I) as well as medicaments and articles of manufacture comprising compounds of formula (I).

  揭示了治疗与PAI-1水平升高相关的疾病的方法，包括向需要治疗的患者施用至少一种式(I)化合物的治疗有效量，或者其药用可接受的盐、前药、立体异构体或溶剂，其中：A为芳基或杂环芳基，R1-R11在此处被定义。本发明还涉及符合式(I)范围内的药物组合物和化合物，以及包括式(I)化合物的药物和制造品。
• Synthesis of novel phthalazine derivatives as pharmacological activities
  作者：Ashraf Farouq Wasfy、Aly A. Aly、Mohamed S. Behalo、Noura S. Mohamed

  DOI：10.1002/jhet.3735

  日期：2020.1

  acids derivatives were obtained by deprotection of phthalazine derivatives, with the latter heating with hydrazine hydrate. The chemical structures of all phthalazine derivatives were affirmed by elemental analysis and spectral data (IR, MS, 1HNMR, and 13C NMR). Screening out and estimation of the synthesized derivatives for their cytotoxic and antioxidant activity were done, and most of them showed powerful

  高产率地合成了与氨基酸衍生物连接的邻苯二氮杂嗪衍生物。在作为脱水剂的N，N-二环己基碳二亚胺（DCC）存在下，酞嗪衍生物与不同的邻苯二甲酰基和甲苯磺酰基氨基酸如甘氨酸，丙氨酸，苯丙氨酸，缬氨酸，丝氨酸和苏氨酸的反应产生了高收率的所提供化合物。邻苯二甲酰胺衍生物通过去保护，然后与水合肼一起加热而获得邻苯二甲酰基氨基酸衍生物。元素分析和光谱数据（IR，MS，1 HNMR和131 H NMR）。筛选并评估了合成衍生物的细胞毒性和抗氧化活性，与标准药物相比，大多数衍生物具有强大的活性。
• Molecular modeling based approach, synthesis and in vitro assay to new indole inhibitors of hepatitis C NS3/4A serine protease
  作者：Nasser S.M. Ismail、Masao Hattori

  DOI：10.1016/j.bmc.2010.11.017

  日期：2011.1

  In an attempt to identify potential HCV NS3 protease inhibitors lead compounds, a series of novel indoles (10a-g) was designed. Molecular modeling study, including fitting to a 3D-pharmacophore model of the designed molecules (10a-g), with HCV NS3 protease hypothesis using CATALYST program was fulfilled. Also, the molecular docking into the NS3 active site was examined using Discovery Studio 2.5 software. Several compounds showed significant high simulation docking score and fit values. The designed compounds with high docking score and fit values were synthesized and biologically evaluated in vitro using an NS3 protease binding assay. It appears that most of the tested compounds reveal promising inhibitory activity against NS3 protease. Of these, compounds 10a and 10b demonstrated potent HCV NS3 protease inhibitors with IC50 values of 9 and 12 mu g/mL, respectively. The experimental serine protease inhibitor activities of compounds 10a-g were consistent with their molecular modeling results. Inhibitors from this class have promising characteristics for further development as anti-HCV agents. (C) 2010 Elsevier Ltd. All rights reserved.
• Substitution products of amino benzoyl ortho benzoic acid and process of preparing the same
  申请人：DU PONT

  公开号：US01892890A1

  公开（公告）日：1933-01-03
• US1840035
  申请人：——

  公开号：——

  公开（公告）日：——