2,3-dihydro-3,6-diphenyl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-one | 151993-58-7

• 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: 2,3-dihydro-3,6-diphenyl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-one
• 英文别名: 3,6-Diphenyl-5-sulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one；3,6-diphenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
• CAS: 151993-58-7
• 化学式: C₁₇H₁₁N₃OS₃
• 分子量: 369.492
• InChiKey: LJPYMEUGNUFYFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,3-dihydro-3,6-diphenyl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-one 在 五氯化磷 、 三氯氧磷 作用下， 反应 4.0h， 以59%的产率得到5-chloro-2,3-dihydro-3,6-diphenyl-2-thioxothiazolo<4,5-d>pyrimidin-7(6H)-one
  参考文献：
  名称：

  Potential anti-microbials. I. Synthesis and structure-activity studies of some new thiazolo[4,5-d]pyrimidine derivatives

  摘要：

  The synthesis of several 2,3-dihydro-3,6-diaryl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones and related compounds are discussed. Some members of the series displayed broad in vitro anti-bacterial and anti-fungal activities. Three compounds were screened for anti-HIV potency but were inactive.

  DOI：

  10.1016/0223-5234(93)90001-u
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 2-硫代-3-苯基-4-氨基噻唑-5-甲酸乙酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以60%的产率得到2,3-dihydro-3,6-diphenyl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-one
  参考文献：
  名称：

  Potential anti-microbials. I. Synthesis and structure-activity studies of some new thiazolo[4,5-d]pyrimidine derivatives

  摘要：

  The synthesis of several 2,3-dihydro-3,6-diaryl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones and related compounds are discussed. Some members of the series displayed broad in vitro anti-bacterial and anti-fungal activities. Three compounds were screened for anti-HIV potency but were inactive.

  DOI：

  10.1016/0223-5234(93)90001-u

文献信息

• Urgun; Balkan; Ozalp, Arzneimittel-Forschung/Drug Research, 2000, vol. 50, # 12, p. 1115 - 1119
  作者：Urgun、Balkan、Ozalp

  DOI：——

  日期：——