1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenyl-phenyl)guanidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenyl-phenyl)guanidine
• 英文别名: 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenylphenyl)guanidine
• 化学式: C₁₉H₁₉N₅
• 分子量: 317.393
• InChiKey: SXZLFLGASKUCKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  溴乙酸乙酯 、 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenyl-phenyl)guanidine 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以58%的产率得到(E)-1-(biphenyl-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)imino]imidazolidin-4-one
  参考文献：
  名称：

  Synthesis of 2-iminoimidazolidin-4-one derivatives by cyclization of 2-aryl-1-(4,6-dimethylpyrimidin-2-yl)guanidines with ethyl bromoacetate, dimethyl acetylenedicarboxylate, and maleic anhydride

  摘要：

  2-亚氨基咪唑烷-4-酮、(E)-甲基(2-亚氨基-5-氧代咪唑烷-4-亚基)乙酸和(2-亚氨基-5-氧代-咪唑烷-4-基)乙酸的衍生物分别通过2-芳基-1-(4,6-二甲基嘧啶-2-基)胍与乙基溴乙酸酯、乙炔二羧酸二甲酯和马来酸酐的环化反应合成。

  DOI：

  10.1007/s11172-007-0216-8

文献信息

• Heteroaryl guanidines; inhibitors of viral replication
  申请人：Chen Xi

  公开号：US20060100225A1

  公开（公告）日：2006-05-11

  Compounds of Formula 1, and pharmaceutically acceptable forms thereof, are provided: wherein the variables X, Y, Z, A 1 , R 2 , R 3 , R 4 , R 5 and R 6 are defined herein. Certain compounds of Formula 1 described herein which possess potent antiviral activity. Certain compounds of Formula 1 that are potent and/or selective inhibitors of Hepatitis C virus replication. Pharmaceutical compositions containing one or more compounds of Formula 1, or a salt, solvate, or acylated prodrug of such compounds, and one or more pharmaceutically acceptable carriers, excipients, or diluents are also provided. Methods of treating patients suffering from certain infectious diseases by administering to such patients an amount of a compound of Formula 1 effective to reduce signs or symptoms of the disease or disorder are disclosed. These infectious diseases include viral infections, particularly HCV infections. Methods of treating human patients suffering from an infectious disease, but also encompasses methods of treating other animals, including livestock and domesticated companion animals, suffering from an infectious disease. Methods of treatment include administering a compound of Formula 1 as a single active agent or administering a compound of Formula 1 in combination with on or more other therapeutic agent.

  提供了式 1 的化合物及其药学上可接受的形式： 其中变量 X、Y、Z、A 1 , R 2 , R 3 , R 4 , R 5 和 R 6 在此定义。 本文所述的某些具有强效抗病毒活性的式 1 化合物。对丙型肝炎病毒复制具有强效和/或选择性抑制作用的某些式 1 化合物。还提供了含有一种或多种式 1 化合物或其盐类、溶解物或酰化原药以及一种或多种药学上可接受的载体、赋形剂或稀释剂的药物组合物。本发明公开了通过向患有某些传染性疾病的患者施用一定量的式 1 化合物以有效减轻疾病或紊乱的症状或体征的治疗方法。这些传染病包括病毒感染，尤其是丙型肝炎病毒感染。治疗人类传染病患者的方法，也包括治疗其他动物（包括家畜和驯养的伴侣动物）传染病的方法。治疗方法包括将式 1 的化合物作为单一活性剂给药，或将式 1 的化合物与一种或多种其他治疗剂联合给药。
• [EN] HETEROARYL GUANIDINES ; INHIBITORS OF VIRAL REPLICATION<br/>[FR] COMPOSES D'HETEROARYLE DE GUANIDINE; INHIBITEURS DE LA REPLICATION VIRALE
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2005095345A2

  公开（公告）日：2005-10-13

  Compounds of Formula (1), and pharmaceutically acceptable forms thereof, are provided wherein the variables X, Y, Z, Al, R2, R3, R4, R5 and R6 are defined herein. Certain compounds of Formula 1 described herein which possess potent antiviral activity. Certain compounds of Formula (1) that are potent and/ or selective inhibitors of Hepatitis C virus replication. Pharmaceutical compositions containing one or more compounds of Formula (1), or a salt, solvate, or acylated prodrug of such compounds, and one or more pharmaceutically acceptable carriers, excipients, or diluents are also provided. Methods of treating patients suffering from certain infectious diseases by administering to such patients an amount of a compound of Formula (1) effective to reduce signs or symptoms of the disease or disorder are disclosed. These infectious diseases include viral infections, particularly HCV infections. Methods of treating human patients suffering from an infectious disease, but also encompasses methods of treating other animals, including livestock and domesticated companion animals, suffering from an infectious disease. Methods of treatment include administering a compound of Formula (1) as a single active agent or administering a compound of Formula (1) in combination with on or more other therapeutic agent.
• Synthesis of 2-iminoimidazolidin-4-one derivatives by cyclization of 2-aryl-1-(4,6-dimethylpyrimidin-2-yl)guanidines with ethyl bromoacetate, dimethyl acetylenedicarboxylate, and maleic anhydride
  作者：A. S. Shestakov、O. E. Sidorenko、Kh. S. Shikhaliev

  DOI：10.1007/s11172-007-0216-8

  日期：2007.7

  Derivatives of 2-iminoimidazolidin-4-one, (E)-methyl (2-imino-5-oxoimidazolidin-4-ylidene)acetate, and (2-imino-5-oxo-imidazolidin-4-yl)acetic acid were synthesized by the cyclization of 2-aryl-1-(4,6-dimethylpyrimidin-2-yl)guanidines with ethyl bromoacetate, dimethyl acetylenedicarboxylate, and maleic anhydride, respectively.

  2-亚氨基咪唑烷-4-酮、(E)-甲基(2-亚氨基-5-氧代咪唑烷-4-亚基)乙酸和(2-亚氨基-5-氧代-咪唑烷-4-基)乙酸的衍生物分别通过2-芳基-1-(4,6-二甲基嘧啶-2-基)胍与乙基溴乙酸酯、乙炔二羧酸二甲酯和马来酸酐的环化反应合成。