[4-(4-methoxyphenyl)piperazin-1-yl](5-pyrrolidin-1-yl[1,2,3]triazolo[4,5-b]pyridin-3-yl)methanone | 1072874-97-5

• 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: [4-(4-methoxyphenyl)piperazin-1-yl](5-pyrrolidin-1-yl[1,2,3]triazolo[4,5-b]pyridin-3-yl)methanone
• 英文别名: [4-(4-Methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone
• CAS: 1072874-97-5
• 化学式: C₂₁H₂₅N₇O₂
• 分子量: 407.475
• InChiKey: MGKOJBWLIJFIBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  79.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(4-methoxyphenyl)piperazine-1-carboxylic acid (3-nitro-6-pyrrolidin-1-ylpyridin-2-yl)amide 在 10 % platinum on carbon 盐酸 、 氢气 、 sodium acetate 、 亚硝酸异戊酯 、 potassium carbonate 作用下， 以 甲醇 、 异丙醇 、 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 20.0 ℃ 、206.85 kPa 条件下， 反应 20.5h， 生成 [4-(4-methoxyphenyl)piperazin-1-yl](5-pyrrolidin-1-yl[1,2,3]triazolo[4,5-b]pyridin-3-yl)methanone
  参考文献：
  名称：

  TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF

  摘要：

  本发明涉及一般式(I)的三唑吡啶羧酰胺衍生物和三唑嘧啶羧酰胺衍生物，其中X，A，R1和R2的定义如本文所述。本发明还涉及其制备方法和治疗用途。

  公开号：

  US20100041651A1

文献信息

• Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors
  申请人：Boyle Robert George

  公开号：US20080234276A1

  公开（公告）日：2008-09-25

  The invention relates to novel heterocyclic triazines which are useful as hypoxic selective cytotoxic agents that mediate and/or inhibit cell proliferation, for example, through the activity of protein kinases. The invention is further related to pharmaceutical compositions containing such compounds and compositions, and to methods of treating cancer as well as other disease states associated with unwanted angiogenesis and/or cellular proliferation by administering effective amounts of such compounds.

  该发明涉及一种新型杂环三嗪，它们可用作低氧选择性细胞毒性剂，通过蛋白激酶的活性介导和/或抑制细胞增殖。该发明还涉及含有这些化合物和组合物的制药组合物，以及通过给予这些化合物的有效量来治疗癌症以及与不必要的血管生成和/或细胞增殖相关的其他疾病状态的方法。
• HETEROCYCLIC N-OXIDES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS
  申请人：Sentinel Oncology Limited

  公开号：EP1858883A2

  公开（公告）日：2007-11-28
• HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS
  申请人：Sentinel Oncology Limited

  公开号：EP1846392A2

  公开（公告）日：2007-10-24
• DÉRIVÉS DE TRIAZOLOPYRIDINE-CARBOXAMIDES ET TRIAZOLOPYRIMIDINE-CARBOXAMIDES, LEUR PRÉPARATION ET LEUR APPLICATION EN THÉRAPEUTIQUE
  申请人：Sanofi-Aventis

  公开号：EP2146990A1

  公开（公告）日：2010-01-27
• Heterocyclic N-Oxides as Hypoxic Selective Protein Kinase Inhibitors
  申请人：Boyle Robert George

  公开号：US20100048540A1

  公开（公告）日：2010-02-25

  The invention relates to novel heterocyclic N-oxides which are useful as hypoxic selective cytotoxic agents that mediate and/or inhibit cell proliferation, for example, through the activity of protein kinases. The invention is further related to pharmaceutical compositions containing such compounds and compositions, and to methods of treating cancer as well as other disease states associated with unwanted ahgiogenesis and/or cellular proliferation by administering effective amounts of such compounds.