1-[4-(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyldisulfanyl)-6-methyl-2-phenyl-5-pyrimidinyl]-1-ethanone | 95871-98-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyldisulfanyl)-6-methyl-2-phenyl-5-pyrimidinyl]-1-ethanone
• 英文别名: Bis(2-phenyl-6-methyl-5-acetyl-pyrimidyl-4)disulphide；Bis-<6-methyl-2-phenyl-5-acetyl-pyrimidyl-(4)>-disulfid；1,1'-(6,6'-dimethyl-2,2'-diphenyl-4,4'-disulfanediyl-di-pyrimidin-5-yl)-bis-ethanone；1-[4-[(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)disulfanyl]-6-methyl-2-phenylpyrimidin-5-yl]ethanone
• CAS: 95871-98-0
• 化学式: C₂₆H₂₂N₄O₂S₂
• 分子量: 486.618
• InChiKey: QRYLVCDNCZAESN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  136
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(4-methyl-2-phenyl-6-thioxo-1,6-dihydro-5-pyrimidinyl)-1-ethanone 在 氯 、 sodium carbonate 作用下， 以 氯仿 、 水 为溶剂， 反应 1.0h， 生成 1-[4-(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyldisulfanyl)-6-methyl-2-phenyl-5-pyrimidinyl]-1-ethanone
  参考文献：
  名称：

  El-Bahaie; El-Deeb; Assy, Pharmazie, 1991, vol. 46, # 1, p. 26 - 28

  摘要：

  DOI：

文献信息

• Synthesis and Structural Studies of 4-Thioxopyrimidines with Antimicrobial Activities
  作者：Silvio Cunha、Rodrigo M. Bastos、Priscila de O. Silva、Giselle A. Nobre Costa、Ivo Vencato、Carlito Lariucci、Hamilton B. Napolitano、Cecília M. A. de Oliveira、Lucília Kato、Cleuza C. da Silva、Diego Menezes、Marcos A. Vannier-Santos

  DOI：10.1007/s00706-006-0577-y

  日期：2007.2

  This work describes a two-step, one-pot synthetic method for the formal aza-[3 + 3] cycloaddition between N-alkyl substituted enaminones and benzoyl isothiocyanate, which afforded 4-thioxopyrimidines in reasonable yields. Reaction of acyclic enaminone with a sterically hindered group attached to the nitrogen atom afforded pyridine-2-thione, yet in low yield. The antibacterial, antifungal, and trypanocidal activities of the thioxopyrimidines were evaluated and five compounds exhibited moderate activity against Candida albicans, Micrococcus luteus, and Trypanosoma cruzi. The solid state structures of a thioxopyrimidine, an organic disulfide, and a 1,2,4-triazole were determined by X-ray diffraction analysis.