2-Amino-8-bromo-9-(8-bromo-1,2,3,4-tetrahydro-naphthalen-1-yl)-1,9-dihydro-purin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-Amino-8-bromo-9-(8-bromo-1,2,3,4-tetrahydro-naphthalen-1-yl)-1,9-dihydro-purin-6-one
• 英文别名: 2-amino-8-bromo-9-(8-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-purin-6-one
• 化学式: C₁₅H₁₃Br₂N₅O
• 分子量: 439.109
• InChiKey: QLRAFBKUHQNNFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  85.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-Amino-9-(8-bromo-1,2,3,4-tetrahydro-naphthalen-1-yl)-1,9-dihydro-purin-6-one 在 溴 作用下， 以 水 为溶剂， 生成 2-Amino-8-bromo-9-(8-bromo-1,2,3,4-tetrahydro-naphthalen-1-yl)-1,9-dihydro-purin-6-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of guanine analogues as phosphodiesterase 7 (PDE7) inhibitors

  摘要：

  The synthesis of a novel series of guanine analogues is reported. The compounds have been assessed in vitro and some analogues have been found to be inhibitors of phosphodiesterase type 7 (PDE7). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00125-1

文献信息

• [EN] 9-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)-1,9-DIHYDROPURIN-6-ONE DERIVATIVES AS PDE7 INHIBITORS<br/>[FR] DERIVES DE 9-(1,2,3,4-TETRAHYDRONAPTHTHALENE-1-YLE)-1,9-DIHYDROPURINE-6-UN INHIBITEURS DE PDE7
  申请人：DARWIN DISCOVERY LTD

  公开号：WO2000068230A1

  公开（公告）日：2000-11-16

  Compounds of formula (i) wherein X-Y-Z represents NR4-C=N or N=C-NR4; R4, which can be attached to either X or Z, is a residue derived from 5,6,7,8- or 1,2,3,4-tetrahydro-naphthalene have therapeutic utility as inhibitors of PDE7.