2-methyl-3H-naphtho[1,2-d]imidazole-5,6-dicarboxylic anhydride | 42076-04-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methyl-3H-naphtho[1,2-d]imidazole-5,6-dicarboxylic anhydride
• 英文别名: 2-Methylnaphto<1,2-d>imidazol-5,6-dicarbonsaeureanhydrid；2-methyl-1(3)H-naphtho[1,2-d]imidazole-5,6-dicarboxylic acid anhydride；9-methyl-8(10)H-benzo[4,5]isochromeno[6,7-d]imidazole-4,6-dione
• CAS: 42076-04-0
• 化学式: C₁₄H₈N₂O₃
• 分子量: 252.229
• InChiKey: PABPDKMQHMFVSV-UHFFFAOYSA-N

物化性质

• 沸点：
  625.4±28.0 °C(Predicted)
• 密度：
  1.590±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  72.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4,5-Diacetamidoacenaphthen 在 sodium dichromate 作用下， 以 溶剂黄146 为溶剂， 生成 2-methyl-3H-naphtho[1,2-d]imidazole-5,6-dicarboxylic anhydride
  参考文献：
  名称：

  2-Methylnaphtho[1,2-d]imidazole-5,6-dicarboxylic acid anhydride

  摘要：

  DOI：

  10.1007/bf00471544

文献信息

• Synthesis, Antitumor Activity, Molecular Modeling, and DNA Binding Properties of a New Series of Imidazonaphthalimides
  作者：Miguel F. Braña、Mónica Cacho、Mario A. García、Beatriz de Pascual-Teresa、Ana Ramos、Nuria Acero、Francisco Llinares、Dolores Muñoz-Mingarro、Cristina Abradelo、María Fernanda Rey-Stolle、Mercedes Yuste

  DOI：10.1021/jm020950q

  日期：2002.12.1

  A series of mono and bisintercalators based on the 5,8-dihydrobenz [de]imidazo [4,5-g]isoquinoline-4,6-dione system were synthesized and evaluated for growth inhibitory properties in several human cell lines. All target compounds showed activity in the micromolar range. Representative compounds were evaluated using UV-vis spectroscopy and viscosimetric determinations, showing that they behave as DNA intercalators. Molecular modeling techniques were used in order to rationalize the moderate activity observed for bisnaphthalimides.
• BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS
  申请人：THE DU PONT MERCK PHARMACEUTICAL COMPANY

  公开号：EP0705250A1

  公开（公告）日：1996-04-10
• US5416089A
  申请人：——

  公开号：US5416089A

  公开（公告）日：1995-05-16
• US5585382A
  申请人：——

  公开号：US5585382A

  公开（公告）日：1996-12-17
• [EN] BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS<br/>[FR] CHROMOPHORES BIS-IMIDE POLYCYCLIQUES ET HETEROCYCLIQUES UTILES COMME AGENTS ANTICANCEREUX
  申请人：THE DU PONT MERCK PHARMACEUTICAL COMPANY

  公开号：WO1995000490A1

  公开（公告）日：1995-01-05

  (EN) This invention relates to bis-imide derivatives of tri- and tetraamines of formula (I), pharmaceutical compositions containing them, and methods of using them to treat cancer, particularly solid tumors, in mammals.(FR) Cette invention concerne des dérivés bis-imide de triamines et de tétraamines de la formule (I), des compositions pharmaceutiques les contenant et des méthodes d'utilisation de celles-ci pour traiter le cancer, en particulier les tumeurs solides chez les mammifères.