3-nitro-4-(3-pyridylamino)pyridine | 54706-04-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-nitro-4-(3-pyridylamino)pyridine
• 英文别名: N-(3-nitropyridin-4-yl)pyridin-3-amine；3-Nitro-4-(3-pyridylamino)-pyridin；(3-nitro-pyridin-4-yl)-pyridin-3-yl-amine；3-Nitro-4-(3-pyridylamino)pyridine；3-nitro-N-pyridin-3-ylpyridin-4-amine
• CAS: 54706-04-6
• 化学式: C₁₀H₈N₄O₂
• 分子量: 216.199
• InChiKey: SYUZVNYMTLEQEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-nitro-4-(3-pyridylamino)pyridine 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 以90%的产率得到3-amino-4-(3-pyridylamino)pyridine
  参考文献：
  名称：

  Use of the Graebe-Ullmann reaction in the synthesis of 8-methyl-γ-carboline and isomeric aromatic aza-γ-carbolines

  摘要：

  Two variants of the Graebe-Ullmann reaction were used to obtain 8-methyl-5H-pyrido[4,3-b]indole (8-methyl-gamma-carboline) and the conditions for this reaction were optimized. The feasibility of using this method was studied for the synthesis of a series of isomeric aromatic aza-gamma-carbolines from the corresponding 1-(pyridyl)-1H-1,2,3-triazolo[4,5-c]pyridines under thermal and microwave irradiation conditions.

  DOI：

  10.1007/s10593-012-1127-7
• 作为产物：
  描述：

  4-羟基-3-硝基吡啶 在 五氯化磷 、 三氯氧磷 作用下， 反应 6.17h， 生成 3-nitro-4-(3-pyridylamino)pyridine
  参考文献：
  名称：

  Use of the Graebe-Ullmann reaction in the synthesis of 8-methyl-γ-carboline and isomeric aromatic aza-γ-carbolines

  摘要：

  Two variants of the Graebe-Ullmann reaction were used to obtain 8-methyl-5H-pyrido[4,3-b]indole (8-methyl-gamma-carboline) and the conditions for this reaction were optimized. The feasibility of using this method was studied for the synthesis of a series of isomeric aromatic aza-gamma-carbolines from the corresponding 1-(pyridyl)-1H-1,2,3-triazolo[4,5-c]pyridines under thermal and microwave irradiation conditions.

  DOI：

  10.1007/s10593-012-1127-7

文献信息

• P2X7 MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20150322062A1

  公开（公告）日：2015-11-12

  The present invention is directed to compounds of Formulas (I, IIa and IIb): The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, IIa and IIb). Methods of making and using the compounds of Formulas (I, IIa and IIb) are also within the scope of the invention.

  本发明涉及公式（I，IIa和IIb）的化合物：本发明还涉及包括公式（I，IIa和IIb）的化合物的制药组合物。制备和使用公式（I，IIa和IIb）的方法也在本发明的范围内。
• P2X7 modulators and methods of use
  申请人：Janssen Pharmaceutica NV

  公开号：US10112937B2

  公开（公告）日：2018-10-30

  The present invention is directed to compounds of Formulas (I, Ia, IIa and IIb). The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, Ia, IIa and IIb). Methods of making and using the compounds of Formulas (I, Ia, IIa and IIb) are also within the scope of the invention.

  本发明涉及式（I、Ia、IIa 和 IIb）化合物。本发明还涉及包含式（I、Ia、IIa 和 IIb）化合物的药物组合物。式（I、Ia、IIa 和 IIb）化合物的制造和使用方法也属于本发明的范围。
• P2X7 modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US10150765B2

  公开（公告）日：2018-12-11

  The present invention is directed to compounds of Formulas (I, IIa and IIb): The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, IIa and IIb). Methods of making and using the compounds of Formulas (I, IIa and IIb) are also within the scope of the invention.

  本发明涉及式（I、IIa 和 IIb）化合物： 本发明还涉及包含式（I、IIa 和 IIb）化合物的药物组合物。式（I、IIa 和 IIb）化合物的制造和使用方法也属于本发明的范围。
• US20140275015A1
  申请人：——

  公开号：US20140275015A1

  公开（公告）日：2014-09-18
• P2X7 Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20190092770A1

  公开（公告）日：2019-03-28

  The present invention is directed to compounds of Formulas (I, IIa and IIb): The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, IIa and IIb). Methods of making and using the compounds of Formulas (I, IIa and IIb) are also within the scope of the invention.