N-(4-Phenyl-2-thioxo-1,4,5,6,7,8-hexahydro-2H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetamide | 135718-57-9

• 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: N-(4-Phenyl-2-thioxo-1,4,5,6,7,8-hexahydro-2H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetamide
• 英文别名: N-(1,4,5,6,7,8-Hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)acetamide；N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
• CAS: 135718-57-9
• 化学式: C₁₈H₁₉N₃OS₂
• 分子量: 357.5
• InChiKey: NHZJHIQPMHYCSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Amino-4-phenyl-2-thioxo-1,2,3,4,5,6,7,8-octahydrobenzo<4,5>thieno<2,3-d>pyrimidine 、 乙酸酐 在 硫酸 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以71%的产率得到N-(4-Phenyl-2-thioxo-1,4,5,6,7,8-hexahydro-2H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-acetamide
  参考文献：
  名称：

  Thiophene isosteres: synthesis and biological evaluation of 3-substituted derivatives of 4-phenyl-2-thioxo-benzo[4,5] thieno[2,3-d]pyrimidine

  摘要：

  As an extension of a previous work, in which a series of 4-phenyl-2-thioxo-benzo[4,5]thieno[2,3-d]pyrimidines were synthesized, a new series of 3-amino derivatives of this ring system has been prepared. The products obtained together with those reported in the previous paper, were tested for analgesic, antipyretic and anti-inflammatory activities as well as for acute toxicity. Since these compounds could be useful for the treatment of neoplasms, their cytostatic activity was also investigated.

  DOI：

  10.1016/0223-5234(91)90065-u

文献信息

• Thiophene isosteres: synthesis and biological evaluation of 3-substituted derivatives of 4-phenyl-2-thioxo-benzo[4,5] thieno[2,3-d]pyrimidine
  作者：S Vega、J Alonso、JA Diaz、F Junquera、C Perez、V Darias、L Bravo、S Abdallah

  DOI：10.1016/0223-5234(91)90065-u

  日期：1991.4

  As an extension of a previous work, in which a series of 4-phenyl-2-thioxo-benzo[4,5]thieno[2,3-d]pyrimidines were synthesized, a new series of 3-amino derivatives of this ring system has been prepared. The products obtained together with those reported in the previous paper, were tested for analgesic, antipyretic and anti-inflammatory activities as well as for acute toxicity. Since these compounds could be useful for the treatment of neoplasms, their cytostatic activity was also investigated.