3-氨基-n-(4-甲氧基苯基)苯甲酰胺 | 115175-19-4

• 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: 3-氨基-n-(4-甲氧基苯基)苯甲酰胺
• 英文名称: N-(4'-methoxyphenyl)-3-aminobenzamide
• 英文别名: 3-amino-N-(4-methoxy-phenyl)-benzamide；3-amino-N-(4-methoxyphenyl)benzamide
• CAS: 115175-19-4
• 化学式: C₁₄H₁₄N₂O₂
• mdl: MFCD00578698
• 分子量: 242.277
• InChiKey: LWJRUDWWISWNHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  5-氯-2-酰氯噻吩 、 3-氨基-n-(4-甲氧基苯基)苯甲酰胺 在 三乙胺 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 N-(4'-methoxyphenyl)-3-(5-chlorothiophen-2''-ylcarbonylamino)benzamide
  参考文献：
  名称：

  脒基和非脒基苯甲酰胺的合成和体外和体内抗凝和抗血小板活性

  摘要：

  合成了三种脒基和十种非脒基苯甲酰胺，作为基于 3-氨基苯甲酸支架的抗凝剂和抗血小板化合物。通过筛选体外活化部分凝血活酶时间 (aPTT) 和凝血酶原时间 (PT) 的延长，初步评估了 13 种合成化合物 1-13、2b 和 3b 作为前药的抗凝活性。从获得的 aPTT 结果，两种脒基苯甲酰胺，N-(3'-脒基苯基)-3-(噻吩-2''-基羰基氨基)苯甲酰胺 (1, 33.2 ± 0.7 s) 和 N-(4'-脒基苯基)-3-选择 (噻吩-2''-基羰基氨基) 苯甲酰胺 (2, 43.5 ± 0.6 s) 来研究进一步的抗凝和抗血小板活性。1 (33.2 ± 0.7 s) 和 2 (43.5 ± 0.6 s) 的 aPTT 结果与体外 30 μM 的肝素 (62.5 ± 0.8 s) 进行了比较。我们研究了 1 和 2 对小鼠血液抗凝活性（离体）和尾部出血时间（体内）的影响。切尾/流血时间测定表明，1

  DOI：

  10.3390/molecules21050676
• 作为产物：
  描述：

  间硝基苯甲酸 在 草酰氯 、 铁粉 、 氯化铵 、 三乙胺 作用下， 以 甲醇 、 苯 为溶剂， 反应 11.0h， 生成 3-氨基-n-(4-甲氧基苯基)苯甲酰胺
  参考文献：
  名称：

  脒基和非脒基苯甲酰胺的合成和体外和体内抗凝和抗血小板活性

  摘要：

  合成了三种脒基和十种非脒基苯甲酰胺，作为基于 3-氨基苯甲酸支架的抗凝剂和抗血小板化合物。通过筛选体外活化部分凝血活酶时间 (aPTT) 和凝血酶原时间 (PT) 的延长，初步评估了 13 种合成化合物 1-13、2b 和 3b 作为前药的抗凝活性。从获得的 aPTT 结果，两种脒基苯甲酰胺，N-(3'-脒基苯基)-3-(噻吩-2''-基羰基氨基)苯甲酰胺 (1, 33.2 ± 0.7 s) 和 N-(4'-脒基苯基)-3-选择 (噻吩-2''-基羰基氨基) 苯甲酰胺 (2, 43.5 ± 0.6 s) 来研究进一步的抗凝和抗血小板活性。1 (33.2 ± 0.7 s) 和 2 (43.5 ± 0.6 s) 的 aPTT 结果与体外 30 μM 的肝素 (62.5 ± 0.8 s) 进行了比较。我们研究了 1 和 2 对小鼠血液抗凝活性（离体）和尾部出血时间（体内）的影响。切尾/流血时间测定表明，1

  DOI：

  10.3390/molecules21050676

文献信息

• Group of amino substituted benzoyl derivatives and their preparation and their use
  申请人：Jiang Jian-Dong

  公开号：US20110178108A1

  公开（公告）日：2011-07-21

  A group of amino substituted benzoyl derivatives, their preparation and their use. The screening and research on an antiviral drug with hA3G/Vif as a target point proves that the 3-amino benzoyl derivatives not only have the combined activity for the hA3G/Vif, but also have a function of inhibiting replication of viruses. The present invention provides the possible breakthrough progress for the problem of HIV drug resistance, thereby providing a novel clinical antiviral drug which has higher efficiency.

  一组氨基取代苯甲酰衍生物，它们的制备和使用。对以hA3G/Vif为靶点的抗病毒药物的筛选和研究证明，3-氨基苯甲酰衍生物不仅具有对hA3G/Vif的联合活性，而且具有抑制病毒复制的功能。本发明为解决HIV药物耐药问题提供了可能的突破性进展，从而提供了一种效率更高的新型临床抗病毒药物。
• Inhibitors of syk and JAK protein kinases
  申请人：Jia Zhaozhong

  公开号：US20100048567A1

  公开（公告）日：2010-02-25

  The present invention is directed to compounds of formula I-V and tautomers thereof or pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of syk kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及公式I-V的化合物及其互变异构体或药学上可接受的盐、酯和前药，其是syk激酶的抑制剂。本发明还涉及用于制备这种化合物的中间体，制备这种化合物的方法，包含这种化合物的制药组合物，抑制syk激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗至少部分由syk激酶活性介导的多种疾病的方法，例如不良血栓和非何杰金淋巴瘤。
• INHIBITORS OF SYK AND JAK PROTEIN KINASES
  申请人：Jia Zhaozhong

  公开号：US20120101275A1

  公开（公告）日：2012-04-26

  The present invention is directed to compounds of formula I-V and tautomers thereof or pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of syk kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及公式I-V和其互变异构体或药学上可接受的盐、酯和前药的化合物，其为syk激酶的抑制剂。本发明还涉及用于制备这种化合物的中间体，制备这种化合物的方法，含有这种化合物的制药组合物，抑制syk激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗至少部分由syk激酶活性介导的多种情况的方法，如非霍奇金淋巴瘤和不良血栓形成。
• Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent β-secretase inhibitory leads
  作者：Afaf Al-Nadaf、Ghassan Abu Sheikha、Mutasem O. Taha

  DOI：10.1016/j.bmc.2010.03.043

  日期：2010.5

  beta-Secretase (BACE) inhibitors have potential as anti-Alzheimer's disease treatments prompting us to explore the pharmacophoric space of 129 known BACE inhibitors. QSAR analysis was employed to select optimal combination of pharmacophoric models and 2D physicochemical descriptors capable of explaining bioactivity variation (r(2) = 0.88, F = 60.48, r(LOO)(2) = 0.85, r(PRESS)(2) against 25 external test inhibitors = 0.71). We were obliged to use ligand efficiency as the response variable because the logarithmic transformation of bioactivities failed to access self-consistent QSAR models. Three pharmacophoric models emerged in the successful QSAR equation suggesting at least three binding modes accessible to ligands within BACE binding pocket. QSAR equation and pharmacophoric models were validated through ROC curves and were employed to guide synthesis of novel pyridinium-based BACE inhibitors. The best inhibitor illustrated an IC50 value of 1.0 mu M against BACE. (c) 2010 Elsevier Ltd. All rights reserved.
• Synthesis and antiviral activity of sulfonamidobenzophenone oximes and sulfonamidobenzamides
  作者：Masaru Ogata、Hiroshi Matsumoto、Sumio Shimizu、Shiro Kida、Toru Wada、Motoo Shiro、Kosaburo Sato

  DOI：10.1021/jm00153a018

  日期：1986.3

  To find antiviral agents, various sulfonamidobenzophenone oximes (II) were synthesized from the appropriate m-sulfonamidobenzophenones by hydroxylamine reaction. The reaction products were generally obtained as syn/anti mixtures which were separable by fractional crystallization. The anti isomer had more potent antipoliovirus activity than the syn isomer. Various sulfonamidobenzamides (III) which were structurally related to II were synthesized by the reactions of amino-substituted benzamides with sulfuryl chloride or amines with (aminosulfonyl)benzoyl chloride. Antiviral activity was examined by the plaque-inhibition test. Compounds 5, 36, and 69 exhibited strong antipicornavirus activity. The structure-activity relationships are discussed.