2-[5-(4-fluoro-benzyl)-thiazol-2-yl]-3-hydroxy-9-(3-isopropyl-2-oxo-imidazolidin-1-yl)-7-morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one | 1202923-34-9

• 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: 2-[5-(4-fluoro-benzyl)-thiazol-2-yl]-3-hydroxy-9-(3-isopropyl-2-oxo-imidazolidin-1-yl)-7-morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one
• 英文别名: 2-[5-[(4-Fluorophenyl)methyl]thiazol-2-yl]-3-hydroxy-9-(3-isopropyl-2-oxo-imidazolidin-1-yl)-7-morpholino-pyrido[1,2-a]pyrimidin-4-one；2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-yl-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• CAS: 1202923-34-9
• 化学式: C₂₈H₂₉FN₆O₄S
• 分子量: 564.64
• InChiKey: YMZSINLSHPXMEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-benzyloxy-2-[5-(4-fluoro-benzyl)-thiazol-2-yl]-9-(3-isopropyl-2-oxo-imidazolidin-1-yl)-7-morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one 在 三氟乙酸 作用下， 反应 3.0h， 生成 2-[5-(4-fluoro-benzyl)-thiazol-2-yl]-3-hydroxy-9-(3-isopropyl-2-oxo-imidazolidin-1-yl)-7-morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one
  参考文献：
  名称：

  Discovery of potent HIV integrase inhibitors active against raltegravir resistant viruses

  摘要：

  A series of novel HIV integrase inhibitors active against rategravir resistant strains are reported. Initial SAR studies revealed that activities against wild-type virus were successfully maintained at single digit nanomolar level with a wide range of substitutions. However, inclusion of nitrogen-based cyclic substitutions was crucial for achieving potency against mutant viruses. Several compounds with excellent activities against wild-type virus as well as against the viruses with the mutations Q148H/G140S or N155H/E92Q were reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.041

文献信息

• [EN] COMPOUNDS HAVING ANTIVIRAL PROPERTIES<br/>[FR] COMPOSÉS POSSÉDANT DES PROPRIÉTÉS ANTIVIRALES
  申请人：AVEXA LTD

  公开号：WO2010000032A1

  公开（公告）日：2010-01-07

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. The present invention further provides a method of treatment or prophylaxis of a viral infection in a subject comprising administering to said subject an effective amount of a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. Pharmaceutical compositions comprising a compound of formula (I) are also provided.

  本发明提供了式（I）的化合物或其药学上可接受的衍生物、盐或前药。本发明还提供了一种治疗或预防受试者病毒感染的方法，包括向该受试者施用式（I）的化合物或其药学上可接受的衍生物、盐或前药的有效量。还提供了含有式（I）的化合物的药物组合物。
• COMPOUNDS HAVING ANTIVIRAL PROPERTIES
  申请人：Deadman John Joseph

  公开号：US20130059865A1

  公开（公告）日：2013-03-07

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. The present invention further provides a method of treatment or prophylaxis of a viral infection in a subject comprising administering to said subject an effective amount of a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. Pharmaceutical compositions comprising a compound of formula (I) are also provided.

  本发明提供了式(I)的化合物或其药学上可接受的衍生物、盐或前药。本发明还提供了一种治疗或预防受体内病毒感染的方法，包括向该受体内施用式(I)的化合物或其药学上可接受的衍生物、盐或前药的有效剂量。本发明还提供了包括式(I)的化合物的制药组合物。
• US8318732B2
  申请人：——

  公开号：US8318732B2

  公开（公告）日：2012-11-27
• US8563562B2
  申请人：——

  公开号：US8563562B2

  公开（公告）日：2013-10-22
• Discovery of potent HIV integrase inhibitors active against raltegravir resistant viruses
  作者：Giang Le、Nick Vandegraaff、David I. Rhodes、Eric D. Jones、Jonathan A.V. Coates、Long Lu、Xinming Li、Changjiang Yu、Xiao Feng、John J. Deadman

  DOI：10.1016/j.bmcl.2010.07.041

  日期：2010.9

  A series of novel HIV integrase inhibitors active against rategravir resistant strains are reported. Initial SAR studies revealed that activities against wild-type virus were successfully maintained at single digit nanomolar level with a wide range of substitutions. However, inclusion of nitrogen-based cyclic substitutions was crucial for achieving potency against mutant viruses. Several compounds with excellent activities against wild-type virus as well as against the viruses with the mutations Q148H/G140S or N155H/E92Q were reported. (C) 2010 Elsevier Ltd. All rights reserved.