5-(4-methyl-piperazino)-resorcinol | 408518-89-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-(4-methyl-piperazino)-resorcinol
• 英文别名: 5-(4-Methyl-piperazino)-resorcin；5-(4-Methylpiperazin-1-yl)benzene-1,3-diol；5-(4-methylpiperazin-1-yl)benzene-1,3-diol
• CAS: 408518-89-8
• 化学式: C₁₁H₁₆N₂O₂
• 分子量: 208.26
• InChiKey: WTTASZCTHDOSQA-UHFFFAOYSA-N

物化性质

• 熔点：
  248-249 °C(Solvent: Methanol)
• 沸点：
  375.1±35.0 °C(predicted)
• 密度：
  1.227±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4-methyl-piperazino)-resorcinol 、 N,N-二甲基-4-亚硝基苯胺 在 高氯酸 、 air 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Antimalarial Property of Orally Active Phenoxazinium Salts

  摘要：

  Phenoxazinium salts were found to display good antimalarial efficacy in vivo against Plasmodium berghei. Several compounds provided 100% parasitemia clearance at a dose of 20-30 mg kg(-1) x 4 days (ip) and good survival effects without obvious acute toxicity. They also showed excellent potency by oral administration. A preliminary pharmacokinetic study revealed that the oral availability of 1a was excellent.

  DOI：

  10.1021/jm070201e
• 作为产物：
  描述：

  N-甲基哌嗪 、 alkaline earth salt of/the/ methylsulfuric acid 在 甲苯 作用下， 生成 5-(4-methyl-piperazino)-resorcinol
  参考文献：
  名称：

  The Reaction of Phloroglucinol with 1-Methyl-piperazine

  摘要：

  DOI：

  10.1021/ja01620a068

文献信息

• The Reaction of Phloroglucinol with 1-Methyl-piperazine
  作者：Armiger H. Sommers、James D. Barnes

  DOI：10.1021/ja01620a068

  日期：1955.8
• Synthesis and Antimalarial Property of Orally Active Phenoxazinium Salts
  作者：Kiyosei Takasu、Tsubasa Shimogama、Chie Satoh、Marcel Kaiser、Reto Brun、Masataka Ihara

  DOI：10.1021/jm070201e

  日期：2007.5.1

  Phenoxazinium salts were found to display good antimalarial efficacy in vivo against Plasmodium berghei. Several compounds provided 100% parasitemia clearance at a dose of 20-30 mg kg(-1) x 4 days (ip) and good survival effects without obvious acute toxicity. They also showed excellent potency by oral administration. A preliminary pharmacokinetic study revealed that the oral availability of 1a was excellent.