2-methyl-4-[N-methyl-N-(4-nitrophenyl)amino]-8-nitropyrazolo[1,5-a]-1,3,5-triazine | 527704-22-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-methyl-4-[N-methyl-N-(4-nitrophenyl)amino]-8-nitropyrazolo[1,5-a]-1,3,5-triazine
• 英文别名: 2-methyl-4-[N-methyl-N-(4-nitrophenyl)amino]-8-nitro-pyrazolo[1,5-a]-1,3,5-triazine；N,2-dimethyl-8-nitro-N-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
• CAS: 527704-22-9
• 化学式: C₁₃H₁₁N₇O₄
• 分子量: 329.275
• InChiKey: CMAUNPACCAKDJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-methyl-4-[N-methyl-N-(4-nitrophenyl)amino]-8-nitropyrazolo[1,5-a]-1,3,5-triazine 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-[4-[(8-benzamido-2-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)-methylamino]phenyl]benzamide
  参考文献：
  名称：

  A general approach toward the synthesis of 8-acylamidopyrazolo[1,5-a]-1,3,5-triazines

  摘要：

  An expedient synthesis of 8-acylamidopyrazolo[1,5-alpha]-1,3,5-triazines was developed by treating 8-amino-4-[N-(4aminophenyl)-N-(methyl)amino]pyrazolo[1,5-alpha]-1,3,5-triazine with various acyl chlorides following by the displacement of the so-formed N-(methyl)-N-[4-(acylamido)phenyl]amino leaving group with various amines. Applications to high-throughput synthesis are suggested. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02661-8
• 作为产物：
  描述：

  2-methyl-4-(N-methyl-N-phenylamino)pyrazolo[1,5-a]-1,3,5-triazin-4-one 在 硝酸 作用下， 反应 0.17h， 以85%的产率得到2-methyl-4-[N-methyl-N-(4-nitrophenyl)amino]-8-nitropyrazolo[1,5-a]-1,3,5-triazine
  参考文献：
  名称：

  Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same

  摘要：

  本发明涉及新的取代的吡唑并[1,5 A]-1,3,5-三嗪衍生物及其结构类似物，以及它们的治疗用途，尤其是用于预防和治疗涉及中枢和/或周围神经退行性病变的病理学。本发明还涉及制备这些化合物的方法和新的合成中间体。本发明的化合物尤其对应于一般式(Ia)和(Ib)。

  公开号：

  US20060106019A1

文献信息

• Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same
  申请人：Bernard Philippe

  公开号：US20060106019A1

  公开（公告）日：2006-05-18

  The invention concerns novel substituted pyrazolo[1,5 A]-1,3,5-triazine derivatives and some of their structural analogues, and their therapeutic uses, more particularly for preventing and treating pathologies involving central and/or peripheral neuronal degeneration. The invention also concerns methods for preparing same and novel synthesis intermediates. The compounds of the invention correspond more particularly to general formulae (Ia) and (Ib).

  本发明涉及新的取代的吡唑并[1,5 A]-1,3,5-三嗪衍生物及其结构类似物，以及它们的治疗用途，尤其是用于预防和治疗涉及中枢和/或周围神经退行性病变的病理学。本发明还涉及制备这些化合物的方法和新的合成中间体。本发明的化合物尤其对应于一般式(Ia)和(Ib)。
• Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same
  申请人：Bernard Philippe

  公开号：US20090105261A1

  公开（公告）日：2009-04-23

  The invention relates to novel derivatives capable of increasing the synthesis and/or the release of neurotrophic factors, and therefore able to be used as a human or veterinary medicinal product. The invention also relates to methods for preparing the derivatives and also to the intermediates required for their synthesis.

  本发明涉及一种新型衍生物，能够增加神经营养因子的合成和/或释放，因此能够用作人类或兽医药物。本发明还涉及制备这些衍生物的方法，以及其合成所需的中间体。
• A general approach toward the synthesis of 8-acylamidopyrazolo[1,5-a]-1,3,5-triazines
  作者：Pierre Raboisson、Dominique Schultz、Claire Lugnier、Romain Mathieu、Jean-Jacques Bourguignon

  DOI：10.1016/s0040-4039(02)02661-8

  日期：2003.1

  An expedient synthesis of 8-acylamidopyrazolo[1,5-alpha]-1,3,5-triazines was developed by treating 8-amino-4-[N-(4aminophenyl)-N-(methyl)amino]pyrazolo[1,5-alpha]-1,3,5-triazine with various acyl chlorides following by the displacement of the so-formed N-(methyl)-N-[4-(acylamido)phenyl]amino leaving group with various amines. Applications to high-throughput synthesis are suggested. (C) 2003 Elsevier Science Ltd. All rights reserved.