4,5-二苯基噻唑-2-羧酸乙酯 | 159670-42-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5-二苯基噻唑-2-羧酸乙酯
• 英文名称: ethyl 4,5-diphenylthiazole-2-carboxylate
• 英文别名: ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
• CAS: 159670-42-5
• 化学式: C₁₈H₁₅NO₂S
• 分子量: 309.389
• InChiKey: HYWDWIAJMFALKT-UHFFFAOYSA-N

物化性质

• 沸点：
  435.6±48.0 °C(Predicted)
• 密度：
  1.203±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-二苯基噻唑-2-羧酸乙酯 在 Dowex 1x8 (chloride form) 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 dimethyl 3-(4,5-diphenylthiazole-2-carboxamido)propylsulfonium chloride
  参考文献：
  名称：

  Synthesis and properties of some novel anti-calmodulin drugs

  摘要：

  The preparation and properties of some novel inhibitors of calmodulin function are described. The compounds are cationic derivatives of phenyl-substituted thiazoles which inhibit the calmodulin stimulation of cyclic-AMP phosphodiesterase and are active against animal tumor cells in culture. These derivatives form the basis for the preparation of new, more potent inhibitors of calmodulin function which could take advantage of the reported elevated levels of calcium-bound calmodulin in tumor cells and show preferential anti-tumor activity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00092-9
• 作为产物：
  描述：

  硫代草氨酸乙酯 、 2-溴-2-苯基乙酰苯 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以40%的产率得到4,5-二苯基噻唑-2-羧酸乙酯
  参考文献：
  名称：

  Synthesis and properties of some novel anti-calmodulin drugs

  摘要：

  The preparation and properties of some novel inhibitors of calmodulin function are described. The compounds are cationic derivatives of phenyl-substituted thiazoles which inhibit the calmodulin stimulation of cyclic-AMP phosphodiesterase and are active against animal tumor cells in culture. These derivatives form the basis for the preparation of new, more potent inhibitors of calmodulin function which could take advantage of the reported elevated levels of calcium-bound calmodulin in tumor cells and show preferential anti-tumor activity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00092-9