tert-butyl 4-{2-[5-{[(4-chlorobenzyl)amino]carbonyl}-8-(morpholin-4-ylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinolin-2-yl]ethyl}piperazine-1-carboxylate | 388122-33-6

• 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: tert-butyl 4-{2-[5-{[(4-chlorobenzyl)amino]carbonyl}-8-(morpholin-4-ylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinolin-2-yl]ethyl}piperazine-1-carboxylate
• 英文别名: Tert-butyl 4-[2-[10-[(4-chlorophenyl)methylcarbamoyl]-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaen-2-yl]ethyl]piperazine-1-carboxylate
• CAS: 388122-33-6
• 化学式: C₃₅H₄₂ClN₅O₅
• 分子量: 648.202
• InChiKey: GSRRANXPYPKTCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  96.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-{2-[5-{[(4-chlorobenzyl)amino]carbonyl}-8-(morpholin-4-ylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinolin-2-yl]ethyl}piperazine-1-carboxylate 在 盐酸 作用下， 以 甲醇 、 dioxanes 为溶剂， 以73%的产率得到N-(4-chlorobenzyl)-8-(morpholin-4-ylmethyl)-6-oxo-2-(2-piperazin-1-ylethyl)-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide trihydrochloride
  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
• 作为产物：
  描述：

  N-(4-chlorobenzyl)-4-hydroxy-8-iodo-6-(4-morpholinylmethyl)-3-quinolinecarboxamide 、 tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以95%的产率得到tert-butyl 4-{2-[5-{[(4-chlorobenzyl)amino]carbonyl}-8-(morpholin-4-ylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinolin-2-yl]ethyl}piperazine-1-carboxylate
  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

• Pyrroloquinolones as antiviral agents
  申请人：——

  公开号：US20020055636A1

  公开（公告）日：2002-05-09

  The present invention provides a compound of formula I 1 which is useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种化合物，其化学式为I，可用作抗病毒剂，特别是用于抗击疱疹病毒家族的药剂。
• [EN] PYRROLOQUINOLONES AS ANTIVIRAL AGENTS<br/>[FR] PYRROLOQUINOLONES EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UPJOHN CO

  公开号：WO2002002558A1

  公开（公告）日：2002-01-10

  The present invention provides a compound of formula (I) which is useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种化合物，其化学式为（I），该化合物可用作抗病毒剂，特别是用于对抗疱疹病毒家族的病毒。
• Method of preventing or treating atherosclerosis or restenosis
  申请人：——

  公开号：US20040102473A1

  公开（公告）日：2004-05-27

  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, 1 wherein the substituents on the Formulae are as defined herein.

  本发明提供了一种治疗哺乳动物动脉粥样硬化或再狭窄的方法，该方法包括向所述哺乳动物施用有效量的选自由式I、I′和II结构组成的组的化合物、 1 其中式中的取代基如本文所定义。
• PYRROLOQUINOLONES AS ANTIVIRAL AGENTS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1299386A1

  公开（公告）日：2003-04-09
• US6525049B2
  申请人：——

  公开号：US6525049B2

  公开（公告）日：2003-02-25