2-Amino-8-bromo-9-(7-methoxy-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-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-1,9-dihydro-purin-6-one
• 英文别名: 2-amino-8-bromo-9-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-purin-6-one
• 化学式: C₁₆H₁₆BrN₅O₂
• 分子量: 390.239
• InChiKey: RRLNEPXLPBWKEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  94.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-Amino-9-(7-methoxy-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-(7-methoxy-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

• Synthesis and structure–activity relationships of guanine analogues as phosphodiesterase 7 (PDE7) inhibitors
  作者：Matthew J Barnes、Nicola Cooper、Richard J Davenport、Hazel J Dyke、Fiona P Galleway、Frances C.A Galvin、Lewis Gowers、Alan F Haughan、Christopher Lowe、Johannes W.G Meissner、John G Montana、Trevor Morgan、C.Louise Picken、Robert J Watson

  DOI：10.1016/s0960-894x(01)00125-1

  日期：2001.4

  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.