5-甲基-2,4-二苯基苯并[b]嘧啶并[4,5-h][1,6]二氮杂萘-1,3,6(2H,4H,5H)-三酮 | 177082-78-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 5-甲基-2,4-二苯基苯并[b]嘧啶并[4,5-h][1,6]二氮杂萘-1,3,6(2H,4H,5H)-三酮
• 英文名称: 8-Methyl-4,6-diphenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),10,12,14,16-hexaene-3,5,9-trione
• CAS: 177082-78-9
• 化学式: C₂₇H₁₈N₄O₃
• 分子量: 446.465
• InChiKey: OYVOZTLOLMWYPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯胺 、 5-chloro-6-formyl-8-methyl-1,3-diphenyl-pyrido<2,3-d>pyrimidine-2,4,7(1H,3H,8H)-trione 在 sodium hydroxide 作用下， 生成 5-甲基-2,4-二苯基苯并[b]嘧啶并[4,5-h][1,6]二氮杂萘-1,3,6(2H,4H,5H)-三酮
  参考文献：
  名称：

  Ring closure reaction of 5-hydroxy-pyrido[2,3-d]pyrimidine-2,4,7-triones to benzo[b]pyrimido[4,5-h]1,6-naphthyridine-1,3,6-triones

  摘要：

  N-Substituted aminouracils (1) react with malonates by cyclocondensation to 5-hydroxy-pyrido [2,3-d] pyrimidine-2,4,7-triones (2), which give with triethylorthoformate and aniline 6-(phenylaminomethylene)-pyrido[2,3-d]pyrimidine-tetraone (3). Halogenation of 2a-d (with R(2) = Me) with phosphorylchloride leads to 5,7-dichloro-pyrido [2,3-d]pyrimidine-2,4-diones (4) by cleavage of the methyl group at N-8, whereas Vilsmeier reaction of 2 affords 5-chloro-6-formyl derivatives (6), which cyclize with arylamines to give benzo[b]pyrimido[4,5-h] 1,6-naphthyridines (9). Compounds 9 were obtained independently by amination of the tosylates 5 to the 5-arylamino compounds 8, and Vilsmeier formylation to yield 9.

  DOI：

  10.1002/prac.19963380129

文献信息

• Transcription factor modulating compounds and methods of use thereof
  申请人：Levy Stuart B.

  公开号：US20090131401A1

  公开（公告）日：2009-05-21

  Substituted benzoimidazole compounds useful as anti-infectives that decrease resistance, virulence, or growth of microbes are provided. Methods of making and using substituted benzoimidazole compounds, as well as pharmaceutical preparations thereof, in, e.g., reducing antibiotic resistance and inhibiting biofilms.

  本发明提供了可用作抗感染剂的取代苯并咪唑化合物，其可降低微生物的耐药性、毒力或生长。本发明还提供了制备和使用取代苯并咪唑化合物的方法，以及其制备的药物制剂，例如用于减少抗生素耐药性和抑制生物膜的制剂。
• TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF
  申请人：LEVY Stuart B.

  公开号：US20110230523A1

  公开（公告）日：2011-09-22

  Substituted benzoimidazole compounds useful as anti-infectives that decrease resistance, virulence, or growth of microbes are provided. Methods of making and using substituted benzoimidazole compounds, as well as pharmaceutical preparations thereof, in, e.g., reducing antibiotic resistance and inhibiting biofilms.

  本发明提供了用作抗感染剂的取代苯并咪唑化合物，可以降低微生物的抗性、毒力或生长。本发明还提供了制备和使用取代苯并咪唑化合物的方法，以及制备其药物制剂，例如，在减少抗生素抗性和抑制生物膜方面的应用。
• SMALL-MOLECULE INHIBITORS OF DENGUE VIRUS PROTEASES
  申请人：Watowich Stanley J.

  公开号：US20150141521A1

  公开（公告）日：2015-05-21

  The present invention concerns methods and compositions involving small molecule inhibitors for the treatment or prophylaxis of flavivirus infection, such as dengue virus and West Nile virus.
• US7405235B2
  申请人：——

  公开号：US7405235B2

  公开（公告）日：2008-07-29
• US9408813B2
  申请人：——

  公开号：US9408813B2

  公开（公告）日：2016-08-09