2-(4-bromobutyl)-3-methylnaphthalene-1,4-dione | 1374028-69-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(4-bromobutyl)-3-methylnaphthalene-1,4-dione
• 英文别名: 2-(4-Bromobutyl)-3-methylnaphthalene-1,4-dione
• CAS: 1374028-69-9
• 化学式: C₁₅H₁₅BrO₂
• 分子量: 307.187
• InChiKey: JOSTVYVGTTXLLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-bromobutyl)-3-methylnaphthalene-1,4-dione 、 三苯基膦 反应 0.5h， 生成 (4-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)butyl)triphenylphosphoniumbromide
  参考文献：
  名称：

  Phosphonium lipocations as antiparasitic agents

  摘要：

  Phosphonium lipocations were synthesized and evaluated for inhibition of the development of Plasmodium falciparum and Trypanosoma cruzi, etiological agents of malaria and Chagas disease, respectively. Optimal phthalimides and 1,4-naphthoquinone-based lipocations were active in vitro at mid-high nM concentrations against P. falciparum and low mu M concentrations against T. cruzi. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.02.045
• 作为产物：
  描述：

  5-溴戊酸 、 甲萘醌 在 ammonium peroxydisulfate 、 silver nitrate 作用下， 以 水 、 乙腈 为溶剂， 生成 2-(4-bromobutyl)-3-methylnaphthalene-1,4-dione
  参考文献：
  名称：

  Phosphonium lipocations as antiparasitic agents

  摘要：

  Phosphonium lipocations were synthesized and evaluated for inhibition of the development of Plasmodium falciparum and Trypanosoma cruzi, etiological agents of malaria and Chagas disease, respectively. Optimal phthalimides and 1,4-naphthoquinone-based lipocations were active in vitro at mid-high nM concentrations against P. falciparum and low mu M concentrations against T. cruzi. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.02.045

文献信息

• [EN] SMALL MOLECULE NAPHTHOQUINONE- AND PHTHALIMIDE-BASED LIPOCATIONS AS ANTI-PARASITIC AGENTS<br/>[FR] LIPOCATIONS À BASE DE NAPHTOQUINONE ET DE PHTALIMIDE À PETITES MOLÉCULES EN TANT QU'AGENTS ANTI-PARASITAIRES
  申请人：UNIV GEORGIA

  公开号：WO2013036766A1

  公开（公告）日：2013-03-14

  Small molecule naphthoquinone- and phthalimide-based lipocations are provided, as well as methods for their use in treating or preventing anti-parasitic diseases, such as malaria, Chagas disease, and African Sleeping Sickness.

  提供了基于小分子萘醌和邻苯二酰亚胺的脂质载体，以及它们在治疗或预防抗寄生虫疾病（如疟疾、克氏病和非洲睡眠病）中的使用方法。