N-[2-(3-氧代-4H-喹喔啉-2-基)苯基]乙酰胺 | 91658-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: N-[2-(3-氧代-4H-喹喔啉-2-基)苯基]乙酰胺
• 英文名称: N-(2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)acetamide
• 英文别名: 3-(2'-acetamidophenyl)-2(1H)-quinoxalinone；3-(2'-acetylaminophenyl)quinoxalin-2-one；3-(2-acetylamino-phenyl)-1H-quinoxalin-2-one；acetic acid-[2-(3-oxo-3,4-dihydro-quinoxalin-2-yl)-anilide]；Essigsaeure-[2-(3-oxo-3,4-dihydro-chinoxalin-2-yl)-anilid]；N-[2-(3-hydroxyquinoxalin-2-yl)phenyl]acetamide
• CAS: 91658-85-4
• 化学式: C₁₆H₁₃N₃O₂
• mdl: MFCD02376091
• 分子量: 279.298
• InChiKey: OBZQUEWUCBXGNU-UHFFFAOYSA-N

物化性质

• 熔点：
  306 °C
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[2-(3-氧代-4H-喹喔啉-2-基)苯基]乙酰胺 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 以93%的产率得到3-(2-氨基苯基)-1H-喹喔啉-2-酮
  参考文献：
  名称：

  邻苯二胺与靛红的反应

  摘要：

  DOI：

  10.1007/bf00514308
• 作为产物：
  描述：

  3-(2-氨基苯基)-1H-喹喔啉-2-酮 以60%的产率得到
  参考文献：
  名称：

  IVASHCHENKO, A. V.;DRUSHLYAK, A. G.;TITOV, V. V., XIMIYA GETEROTSIKL. SOEDIN., 1984, N 5, 667-672

  摘要：

  DOI：

文献信息

• Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors
  申请人：Niu Deqiang

  公开号：US20070299078A1

  公开（公告）日：2007-12-27

  The present invention relates to compounds, including compounds of Formula I, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及化合物，包括式I的化合物，或其药用可接受的盐、酯或前药：这些化合物抑制丝氨酸蛋白酶活性，特别是丝氨酸蛋白酶活性，尤其是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且还可用作抗病毒药剂。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• Acylaminoheteroaryl hepatitis C virus protease inhibitors
  申请人：Niu Deqiang

  公开号：US20080039470A1

  公开（公告）日：2008-02-14

  The present invention discloses compounds of formulae I and II, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明揭示了式I和II的化合物，或其药用可接受的盐、酯或前药：这些化合物抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰了乙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明还涉及包含上述化合物的药物组合物，用于给患有HCV感染的受试者进行治疗。本发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• Antimicrobial Evaluation of New Quinoxaline Derivatives Synthesized by Selective Coupling with Alkyl Halides and Amino Acids Esters
  作者：Ahmed T. A. Boraei、El Sayed H. El Tamany、Ibrahim A. I. Ali、Sara M. Gebriel

  DOI：10.1002/jhet.2896

  日期：2017.9

  Alkylation of quinoxaline scaffold 1 in the presence of K2CO3 preferred N‐alkylation than O‐alkylation. Quinoxaline hydrazide 6 was successfully coupled with various amino acids, esters, and amines via azide‐coupling method. New heterocyclic compounds containing quinoxaline linked to 1,3,4‐oxadiazolethione or pyrazole were obtained from cyclization of 6 with CS2 and acetylacetone, respectively. A series

  喹喔啉的烷基化脚手架1中K的存在2 CO 3优选Ñ烷基化比Ò烷基化。喹喔啉酰肼6通过叠氮化物偶联方法与各种氨基酸，酯和胺成功偶联。通过分别用CS 2和乙酰丙酮将6环化，获得了含有与1,3,4-恶二唑硫酮或吡唑连接的喹喔啉的新型杂环化合物。由酰肼6形成一系列酰肼席夫碱通过与一组醛和酮缩合 NMR光谱和质谱用于阐明新化合物的结构。研究了合成化合物对两种野生型细菌菌株（金黄色葡萄球菌和大肠埃希氏菌）和两种真菌种类（黄铜链霉菌和尖孢镰刀菌）的抗菌活性。四种化合物对金黄色葡萄球菌显示出显着的活性。酯4具有比标准药物更高的活性，这使其成为有前途的先导化合物。
• QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Nakajima Suanne

  公开号：US20100015092A1

  公开（公告）日：2010-01-21

  The present invention relates to compounds of Formula I or II, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及公式I或II的化合物，或其药学上可接受的盐、酯或前药，其抑制丝氨酸蛋白酶活性，特别是丝氨酸蛋白酶NS3-NS4A的活性。因此，本发明的化合物干扰了丙型肝炎病毒的生命周期，也可用作抗病毒药物。本发明还涉及包含上述化合物的制药组合物，用于治疗患有丙型肝炎感染的受试者。本发明还涉及通过给予包含本发明化合物的制药组合物来治疗受试者的丙型肝炎感染的方法。
• Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors
  申请人：Nakajima Suanne

  公开号：US20070060510A1

  公开（公告）日：2007-03-15

  The present invention relates to compounds of Formula I or II, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及公式I或II的化合物，或其药学上可接受的盐、酯或前药，其抑制丝氨酸蛋白酶活性，特别是丝氨酸蛋白酶NS3-NS4A的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包含上述化合物的制药组合物，用于治疗丙型肝炎病毒感染的患者。本发明还涉及通过给予本发明化合物的制药组合物来治疗患有丙型肝炎病毒感染的患者的方法。