3-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazolo[4,3-d]pyrimidin-7-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazolo[4,3-d]pyrimidin-7-amine
• 化学式: C₁₈H₁₅N₇O
• 分子量: 345.363
• InChiKey: ZJQQJUGCEKHDGB-LSHDLFTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-甲氧基苯乙腈 在 四氢吡咯 、 sodium hydroxide 、 sodium ethanolate 、 一水合肼 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 3-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazolo[4,3-d]pyrimidin-7-amine
  参考文献：
  名称：

  Synthesis and evaluation of novel heterocyclic inhibitors of GSK-3

  摘要：

  A set of novel heterocyclic pyrimidyl hydrazones has been synthesized as inhibitors of glycogen synthase kinase-3 (GSK-3) with the most active exhibiting low nanomolar activity. Quantum mechanical calculations indicate that of the conformational factors that Could determine binding affinity, the planarity of the phenyl ring in relation to the central core and the conformation of the hydrazone chain may be the most influential. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.057

文献信息

• Synthesis and evaluation of novel heterocyclic inhibitors of GSK-3
  作者：Terrence L. Smalley、Andrew J. Peat、Joyce A. Boucheron、Scott Dickerson、Dulce Garrido、Frank Preugschat、Stephanie L. Schweiker、Stephen A. Thomson、Tony Y. Wang

  DOI：10.1016/j.bmcl.2006.01.057

  日期：2006.4

  A set of novel heterocyclic pyrimidyl hydrazones has been synthesized as inhibitors of glycogen synthase kinase-3 (GSK-3) with the most active exhibiting low nanomolar activity. Quantum mechanical calculations indicate that of the conformational factors that Could determine binding affinity, the planarity of the phenyl ring in relation to the central core and the conformation of the hydrazone chain may be the most influential. (C) 2006 Elsevier Ltd. All rights reserved.