6-(4-methylpiperazin-1-yl)-9H-purin-2-amine | 1196993-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-(4-methylpiperazin-1-yl)-9H-purin-2-amine
• 英文别名: 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine
• CAS: 1196993-60-8
• 化学式: C₁₀H₁₅N₇
• mdl: MFCD25956400
• 分子量: 233.276
• InChiKey: HZZXEPZFOVOWIN-UHFFFAOYSA-N

物化性质

• 熔点：
  255-258 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  595.1±60.0 °C(Predicted)
• 密度：
  1.395±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  87
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-(4-methylpiperazin-1-yl)-9H-purin-2-amine 、 溴甲苯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 9-benzyl-6-(4-methylpiperazin-1-yl)-9H-purin-2-amine
  参考文献：
  名称：

  2,4-Diaminopyrimidines as histamine H4 receptor ligands—Scaffold optimization and pharmacological characterization

  摘要：

  The human histamine H-4 receptor (hH(4)R) is a promising new target in the therapy of inflammatory diseases and disorders of the immune system. For the development of new H4R antagonists a broad ligand-based virtual screening was performed resulting in two hits. The dissection of their common annelated aromatic core into its heteromonocyclic components showed that 2,4-diaminopyrimidine is a potent hH(4)R affinity scaffold, which was comprehensively investigated. Structure-activity relationship studies revealed that slight structural changes evoke extensive differences in functional activities and potencies: while o-and p-substituted benzyl amines mainly showed partial agonism, m-substituted and rigidified ones exhibited inverse agonist efficacy. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.08.059
• 作为产物：
  描述：

  N-甲基哌嗪 、 2-氨基-6-氯嘌呤 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 6-(4-methylpiperazin-1-yl)-9H-purin-2-amine
  参考文献：
  名称：

  2,4-Diaminopyrimidines as histamine H4 receptor ligands—Scaffold optimization and pharmacological characterization

  摘要：

  The human histamine H-4 receptor (hH(4)R) is a promising new target in the therapy of inflammatory diseases and disorders of the immune system. For the development of new H4R antagonists a broad ligand-based virtual screening was performed resulting in two hits. The dissection of their common annelated aromatic core into its heteromonocyclic components showed that 2,4-diaminopyrimidine is a potent hH(4)R affinity scaffold, which was comprehensively investigated. Structure-activity relationship studies revealed that slight structural changes evoke extensive differences in functional activities and potencies: while o-and p-substituted benzyl amines mainly showed partial agonism, m-substituted and rigidified ones exhibited inverse agonist efficacy. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.08.059

文献信息

• Substituted chromenones as modulators of protein kinases
  申请人：Rhizen Pharmaceuticals SA

  公开号：US10322130B2

  公开（公告）日：2019-06-18

  The present invention provides PI3K protein kinase modulators of formula wherein R, Cy1, R1, R2, L1 and Cy2 are as defined herein. The present invention also relates to methods of preparing compounds of formula (I) to pharmaceutical compositions containing them and to methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供式 PI3K 蛋白激酶调节剂，其中 R、Cy1、R1、R2、L1 和 Cy2 如本文所定义。 本发明还涉及制备式（I）化合物的方法、含有式（I）化合物的药物组合物以及用式（I）化合物治疗、预防和/或改善激酶介导的疾病或紊乱的方法。
• NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES
  申请人：Rhizen Pharmaceuticals SA

  公开号：US20180110783A1

  公开（公告）日：2018-04-26

  The present invention provides PI3K protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.
• SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES
  申请人：Rhizen Pharmaceuticals SA

  公开号：US20190105324A9

  公开（公告）日：2019-04-11

  The present invention provides PI3K protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.