6-(4-benzyloxyphenyl)-7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine | 632362-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 6-(4-benzyloxyphenyl)-7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
• 英文别名: 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
• CAS: 632362-20-0
• 化学式: C₂₆H₂₅N₇O
• 分子量: 451.531
• InChiKey: XZDHJVLVFHGMAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  93.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-(4-benzyloxy-phenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile 在 sodium azide 、 三乙胺盐酸盐 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 6-(4-benzyloxyphenyl)-7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidine-based inhibitors of HCV polymerase

  摘要：

  The present paper describes a novel series of HCV RNA polymerase inhibitors based on a pyrazolo[1,5-a]pyrimidine scaffold bearing hydrophobic groups and an acidic functionality. Several compounds were optimized to low nanomolar potencies in a biochemical RdRp assay. SAR trends clearly reveal a stringent preference for a cyclohexyl group as one of the hydrophobes, and improved activities for carboxylic acid derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.087

文献信息

• US7196111B2
  申请人：——

  公开号：US7196111B2

  公开（公告）日：2007-03-27
• US7449488B2
  申请人：——

  公开号：US7449488B2

  公开（公告）日：2008-11-11
• Pyrazolo[1,5-a]pyrimidine-based inhibitors of HCV polymerase
  作者：Janeta Popovici-Muller、Gerald W. Shipps、Kristin E. Rosner、Yongqi Deng、Tong Wang、Patrick J. Curran、Meredith A. Brown、M. Arshad Siddiqui、Alan B. Cooper、José Duca、Michael Cable、Viyyoor Girijavallabhan

  DOI：10.1016/j.bmcl.2009.09.087

  日期：2009.11

  The present paper describes a novel series of HCV RNA polymerase inhibitors based on a pyrazolo[1,5-a]pyrimidine scaffold bearing hydrophobic groups and an acidic functionality. Several compounds were optimized to low nanomolar potencies in a biochemical RdRp assay. SAR trends clearly reveal a stringent preference for a cyclohexyl group as one of the hydrophobes, and improved activities for carboxylic acid derivatives. (C) 2009 Elsevier Ltd. All rights reserved.