2-<1-(4-methanesulfonylpiperazinyl)>-5-<1-(4-chlorophenyl)-2-phenylethyl>-4,6-dichloropyrimidine

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-<1-(4-methanesulfonylpiperazinyl)>-5-<1-(4-chlorophenyl)-2-phenylethyl>-4,6-dichloropyrimidine
• 英文别名: 4,6-Dichloro-5-[1-(4-chlorophenyl)-2-phenyl-ethyl]-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine；4,6-dichloro-5-[1-(4-chlorophenyl)-2-phenylethyl]-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
• 化学式: C₂₃H₂₃Cl₃N₄O₂S
• 分子量: 525.886
• InChiKey: AVJDKOBTTUKGGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-[(4-氯苯基)亚甲基]-1,3-二嗪农-2,4,6-三酮 在 盐酸 、 五氯化磷 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 15.5h， 生成 2-<1-(4-methanesulfonylpiperazinyl)>-5-<1-(4-chlorophenyl)-2-phenylethyl>-4,6-dichloropyrimidine
  参考文献：
  名称：

  Growth inhibition of Cryptococcus neoformans by 2-(1-piperazinyl)-5-(1,2-diarylethyl)-4,6-dichloropyrimidines: synthesis and in vitro studies

  摘要：

  2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine and 2-(1-piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl] -4,6-dichloropyrimidine were synthesized via organozinc reagents. These new pyrimidine derivatives were tested against human mycoflora. Biological tests showed that these compounds are selective growth inhibitors of Cryptococcus neoformans.

  DOI：

  10.1016/s0223-5234(96)80010-9

文献信息

• Growth inhibition of Cryptococcus neoformans by 2-(1-piperazinyl)-5-(1,2-diarylethyl)-4,6-dichloropyrimidines: synthesis and in vitro studies
  作者：Y Fellah、D Mandin、P Dubois、JE Ombetta-Goka、J Guenzet、JP Chaumont、Y Frangin

  DOI：10.1016/s0223-5234(96)80010-9

  日期：1996.1

  2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine and 2-(1-piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl] -4,6-dichloropyrimidine were synthesized via organozinc reagents. These new pyrimidine derivatives were tested against human mycoflora. Biological tests showed that these compounds are selective growth inhibitors of Cryptococcus neoformans.