1-(4,6-Dimethylpyrimidin-2-yl)-3-(4-ethylphenyl)guanidine | 332073-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(4,6-Dimethylpyrimidin-2-yl)-3-(4-ethylphenyl)guanidine
• 英文别名: 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-ethylphenyl)guanidine
• CAS: 332073-84-4
• 化学式: C₁₅H₁₉N₅
• mdl: MFCD01543007
• 分子量: 269.349
• InChiKey: AQMAWBQAKRHWRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  1-(4,6-Dimethylpyrimidin-2-yl)-3-(4-ethylphenyl)guanidine 、 溴乙酸乙酯 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以52%的产率得到(E)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-1-(4-ethylphenyl)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

• THERMOSTABILIZATION OF PROTEINS
  申请人：Landry Donald W.

  公开号：US20110142816A1

  公开（公告）日：2011-06-16

  Provided are compositions comprising a cocaine esterase (CocE) and a compound that thermostabilizes the CocE. Also provided are methods of thermostabilizing a cocaine esterase. Additionally provided are methods of treating a mammal under-going a cocaine-induced condition. Methods of determining whether a compound is a thermostabilizing agent for a protein are also provided. Uses of the above-described compositions for the treatment of a cocaine-induced condition is additionally provided. Additionally provided is an isolated nucleic acid encoding a CocE polypeptide having the substitutions L169K and G173Q, and the CocE polypeptide encoded by that nucleic acid, and pharmaceutical compositions thereof. Further provided is the use of that composition for the manufacture of a medicament for the treatment of a cocaine-induced condition and for the treatment of a cocaine-induced condition.
• US8637009B2
  申请人：——

  公开号：US8637009B2

  公开（公告）日：2014-01-28
• 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。