11H-Pyrido[2,1-b]quinazolin-11-one,6,7,8,9-tetrahydro-2,3,4-trimethoxy- | 80776-93-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 11H-Pyrido[2,1-b]quinazolin-11-one,6,7,8,9-tetrahydro-2,3,4-trimethoxy-
• 英文别名: 2,3,4-trimethoxy-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
• CAS: 80776-93-8
• 化学式: C₁₅H₁₈N₂O₄
• 分子量: 290.319
• InChiKey: XZRQFPTXOIXFRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  11H-Pyrido[2,1-b]quinazolin-11-one,6,7,8,9-tetrahydro-2,3,4-trimethoxy- 、 丁香醛 反应 0.2h， 生成 6-[1-(4-Hydroxy-3,5-dimethoxy-phenyl)-meth-(E)-ylidene]-2,3,4-trimethoxy-6,7,8,9-tetrahydro-pyrido[2,1-b]quinazolin-11-one
  参考文献：
  名称：

  Privileged structure-based quinazolinone natural product-templated libraries: Identification of novel tubulin polymerization inhibitors

  摘要：

  A focused quinazolinone natural product-templated library was designed and synthesized. Compounds from this privileged structure-based library were identified as antimitotic agents acting through destabilization of tubulin polymerization. The results suggested that 2 could be a privileged substructure. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.022
• 作为产物：
  描述：

  Boc-5-氨基戊酸 、 2-氨基-3,4,5-三甲氧基苯甲酸 在 吡啶 、 亚磷酸三苯酯 作用下， 反应 0.17h， 生成 11H-Pyrido[2,1-b]quinazolin-11-one,6,7,8,9-tetrahydro-2,3,4-trimethoxy-
  参考文献：
  名称：

  Privileged structure-based quinazolinone natural product-templated libraries: Identification of novel tubulin polymerization inhibitors

  摘要：

  A focused quinazolinone natural product-templated library was designed and synthesized. Compounds from this privileged structure-based library were identified as antimitotic agents acting through destabilization of tubulin polymerization. The results suggested that 2 could be a privileged substructure. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.022

文献信息

• Koekoesi, Jozsef; Hermecz, Istvan; Podanyi, Benjamin, Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 1301 - 1306
  作者：Koekoesi, Jozsef、Hermecz, Istvan、Podanyi, Benjamin、Szasz, Gyoergy、Meszaros, Zoltan

  DOI：——

  日期：——
• KOEKOESI, J.;HERMECZ, I.;PODANYI, B.;SZASZ, G.;MESZAROS, Z., J. HETEROCYCL. CHEM., 1984, 21, N 5, 1301-1306
  作者：KOEKOESI, J.、HERMECZ, I.、PODANYI, B.、SZASZ, G.、MESZAROS, Z.

  DOI：——

  日期：——
• US4395549A
  申请人：——

  公开号：US4395549A

  公开（公告）日：1983-07-26
• US4472399A
  申请人：——

  公开号：US4472399A

  公开（公告）日：1984-09-18
• Privileged structure-based quinazolinone natural product-templated libraries: Identification of novel tubulin polymerization inhibitors
  作者：Ji-Feng Liu、Christopher J. Wilson、Ping Ye、Kevin Sprague、Katie Sargent、Ying Si、Galina Beletsky、Daniel Yohannes、Shi-Chung Ng

  DOI：10.1016/j.bmcl.2005.10.022

  日期：2006.2

  A focused quinazolinone natural product-templated library was designed and synthesized. Compounds from this privileged structure-based library were identified as antimitotic agents acting through destabilization of tubulin polymerization. The results suggested that 2 could be a privileged substructure. (c) 2005 Elsevier Ltd. All rights reserved.