2-isobutyl-3-(6-isobutyl-5-oxo-5,6-dihydrobenzo[a]phenazin-6-yloxy)naphthalene-1,4-dione | 1335024-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-isobutyl-3-(6-isobutyl-5-oxo-5,6-dihydrobenzo[a]phenazin-6-yloxy)naphthalene-1,4-dione
• 英文别名: 2-(2-Methylpropyl)-3-[6-(2-methylpropyl)-5-oxobenzo[a]phenazin-6-yl]oxynaphthalene-1,4-dione
• CAS: 1335024-90-2
• 化学式: C₃₄H₃₀N₂O₄
• 分子量: 530.623
• InChiKey: PWZURSVTLQFNCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  86.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-hydroxy-3-(2-methylpropyl)naphthalene-1,2-dione 在 sodium acetate 、 lead dioxide 、 溶剂黄146 作用下， 生成 2-isobutyl-3-(6-isobutyl-5-oxo-5,6-dihydrobenzo[a]phenazin-6-yloxy)naphthalene-1,4-dione
  参考文献：
  名称：

  Quinonoid and phenazine compounds: Synthesis and evaluation against H37Rv, rifampicin and isoniazid-resistance strains of Mycobacterium tuberculosis

  摘要：

  Several quinonoid and phenazine compounds were synthesized in moderate to high yields and showed activity against H(37)Rv, rifampicin and isoniazid-resistance strains of Mycobacterium tuberculosis. The cytotoxity of the compounds were evaluated against human peripheral blood mononuclear cells (PBMC) and these substances emerge as promising antitubercular prototypes. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.07.026

文献信息

• Quinonoid and phenazine compounds: Synthesis and evaluation against H37Rv, rifampicin and isoniazid-resistance strains of Mycobacterium tuberculosis
  作者：Paula F. Carneiro、Maria do Carmo F.R. Pinto、Tatiane S. Coelho、Bruno C. Cavalcanti、Cláudia Pessoa、Carlos A. de Simone、Isabelle K.C. Nunes、Nathalia M. de Oliveira、Renata G. de Almeida、Antonio V. Pinto、Kelly C.G. de Moura、Pedro A. da Silva、Eufrânio N. da Silva Júnior

  DOI：10.1016/j.ejmech.2011.07.026

  日期：2011.9

  Several quinonoid and phenazine compounds were synthesized in moderate to high yields and showed activity against H(37)Rv, rifampicin and isoniazid-resistance strains of Mycobacterium tuberculosis. The cytotoxity of the compounds were evaluated against human peripheral blood mononuclear cells (PBMC) and these substances emerge as promising antitubercular prototypes. (C) 2011 Elsevier Masson SAS. All rights reserved.