6-(3-hydroxy-4-methoxy-phenyl)-N-[4-[4-[[6-(3-hydroxy-4-methoxy-phenyl)-2-imino-4-methyl-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]phenyl]sulfonylphenyl]-2-imino-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide | 1276688-84-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 6-(3-hydroxy-4-methoxy-phenyl)-N-[4-[4-[[6-(3-hydroxy-4-methoxy-phenyl)-2-imino-4-methyl-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]phenyl]sulfonylphenyl]-2-imino-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
• 英文别名: 2-amino-N-[4-[4-[[2-amino-6-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,4-dihydropyrimidine-5-carbonyl]amino]phenyl]sulfonylphenyl]-6-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,4-dihydropyrimidine-5-carboxamide
• CAS: 1276688-84-6
• 化学式: C₃₈H₃₈N₈O₈S
• 分子量: 766.835
• InChiKey: YCXZMXIBVGPGGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  261
• 氢给体数：
  8
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  异香兰素 、 盐酸胍 、 4.4'-Bis(acetoacetamido)diphenylsulfone 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 以78%的产率得到6-(3-hydroxy-4-methoxy-phenyl)-N-[4-[4-[[6-(3-hydroxy-4-methoxy-phenyl)-2-imino-4-methyl-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]phenyl]sulfonylphenyl]-2-imino-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
  参考文献：
  名称：

  Bis dihydropyrimidine: synthesis and antimycobacterial activity

  摘要：

  A series of bis dihydropyrimidine compounds were synthesised by reacting dapsone with acetylacetoacetate to produce N1-4-[4-(2-oxopropylcarboxamido) phenylsulphonyl] phenyl-3-oxobutanamide, then treated with guanidine hydrochloride and an appropriate aldehyde with a catalytic amount of p-toluene sulphonic acid (PTSA) in the presence of methanol to afford the title compounds. The synthesised compounds were evaluated for their antimycobacterial activity against Mycobacterium tuberculosis H(37)Rv and isoniazid (INH) resistant M. tuberculosis. Among the synthesised compounds, compound N5-(4-4-[6-(4-fluorophenyl)-2-imino-4-methyl-1,2,3,4-tetrahydro-5-pyrimidinylcarboxamido ]phenylsulphonylphenyl)-6-(4-fluorophenyl)-2-imino-4-methyl-1,2,3,4-tetrahydro-5-pyrimidine carboxamide (3g) was found to be the most promising compound with activity against M. tuberculosis H(37)Rv and INH resistant M. tuberculosis with a minimum inhibitory concentration (MIC) between 0.08 and 0.10 mu mu M.

  DOI：

  10.3109/14756366.2010.482046