N-(4-chlorobenzyl)-2-[2-(dimethylamino)ethyl]-8-(morpholin-4-ylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide | 1027379-57-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-(4-chlorobenzyl)-2-[2-(dimethylamino)ethyl]-8-(morpholin-4-ylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
• 英文别名: N-[(4-chlorophenyl)methyl]-2-[2-(dimethylamino)ethyl]-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
• CAS: 1027379-57-2
• 化学式: C₂₈H₃₁ClN₄O₃
• 分子量: 507.032
• InChiKey: NNAIABBWKSADLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(4-chlorobenzyl)-4-hydroxy-8-iodo-6-(4-morpholinylmethyl)-3-quinolinecarboxamide 、 N,N-dimethylbut-3-yn-1-amine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以34%的产率得到N-(4-chlorobenzyl)-2-[2-(dimethylamino)ethyl]-8-(morpholin-4-ylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
  参考文献：
  名称：

  Modifications of C-2 on the pyrroloquinoline template aimed at the development of potent herpesvirus antivirals with improved aqueous solubility

  摘要：

  A series of C-2 pyrroloquinoline analogs designed to improve aqueous solubility were examined for herpesvirus polymerase and antiviral activity. Several analogs were identified that maintained the antiviral activity of the previous development candidate against HCMV, HSV-1 and VZV, but with significantly improved aqueous solubility. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.115

文献信息

• [EN] METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS<br/>[FR] METHODE DE PREVENTION OU DE TRAITEMENT DE L'ATHEROSCLEROSE OU DE LA RESTENOSE
  申请人：UPJOHN CO

  公开号：WO2004019939A1

  公开（公告）日：2004-03-11

  The present invention provides a method of treating atherosclerosis or restenosis in a mammal which comprises administering to said mammal an effective amount of a compound selected from the group consisting of structures of Formulae (I), (I') and (II), wherein the substituents on the Formulae are as defined herein.