3-oxo-2-(pyridin-3-yl)propionitrile | 56239-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-oxo-2-(pyridin-3-yl)propionitrile
• 英文别名: 3-Oxo-2-(3-pyridyl)propanenitrile；3-oxo-2-pyridin-3-ylpropanenitrile
• CAS: 56239-15-7
• 化学式: C₈H₆N₂O
• 分子量: 146.148
• InChiKey: NVGGCUFODOYGJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-((2-methoxy-2-oxoethyl)amino)propanoate 、 、 3-oxo-2-(pyridin-3-yl)propionitrile 在 水 、 disodium;carbonate 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 溶剂黄146 为溶剂， 反应 48.0h， 以to obtain the title compound (7.521 g, yield 83%)的产率得到ethyl 3-{((1Z)-2-cyano-2-(3-pyridyl)vinyl)[(methoxycarbonyl)methyl]amino}propanate
  参考文献：
  名称：

  Pyrrolopyrimidinone derivatives

  摘要：

  具有GSK-3抑制活性的化合物。A1和A3是单键，脂肪烃基; A2和A4是单键，CO，COO，CONR，O，OCO，NR，NRCO，NRCOO等; G1是单键，脂肪烃，芳香烃，杂环; G2是H，脂肪烃，脂环烃，芳香烃，杂环; A5是单键，NR; R2是H，卤素，脂肪烃，脂环烃，芳香烃，杂环; A6是单键，NR，CO，NRCO，NRCONR，CONR，COO，O等; R3是H，卤素，硝基，饱和脂肪烃，脂环烃，芳香烃，杂环; 当A6为CR═CR或C≡C时，R3可以是三甲基硅烷基，甲酰基，酰基，羧基，烷氧基羰基，氨基甲酰基，烷基氨甲酰基或氰基。其中R是H或低级脂肪烃基。

  公开号：

  US20060160831A1

文献信息

• Organic compounds
  申请人：Bold Guido

  公开号：US20050222171A1

  公开（公告）日：2005-10-06

  The invention relates to the use of pyrazolo[1,5a]pyrimidin-7-yl amine compounds and salts thereof in the treatment of kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases, novel pyrazolo[1,5a]pyrimidin-7-yl amine compounds, and a process for the preparation of the novel pyrazolo[1,5a]pyrimidin-7-yl amine compounds.

  该发明涉及在激酶依赖性疾病的治疗中使用吡唑并[1,5a]嘧啶-7-基胺化合物及其盐，并用于制备用于治疗该类疾病的药物制剂，新型吡唑并[1,5a]嘧啶-7-基胺化合物，以及制备新型吡唑并[1,5a]嘧啶-7-基胺化合物的方法。
• Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders
  申请人：Sivasankaran Rajeev

  公开号：US20090069315A1

  公开（公告）日：2009-03-12

  The invention relates to methods of using the compounds of the invention, including pyrazolo[1,5a]pyrimidin-7-yl amine compounds and salts thereof, as well as pharmaceutical compositions comprising the same, in the treatment of Eph receptor-related (e.g., neurological) injuries and disorders. The invention also relates to modulating the activity of an Eph receptor in a cell, stimulating neural regeneration, and reversing neuronal degeneration, by administering a compound of the invention to a cell or subject in an effective amount.

  该发明涉及使用该发明的化合物的方法，包括吡唑并[1,5a]嘧啶-7-基胺化合物及其盐，以及包含相同的药物组合物，在治疗Eph受体相关（例如神经）损伤和疾病方面的用途。该发明还涉及通过向细胞或受体中有效量的给予该发明的化合物，来调节Eph受体的活性，刺激神经再生，并逆转神经细胞的退化。
• [EN] PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES<br/>[FR] DERIVES DE PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DESTINES A ETRE UTILISES DANS LE TRAITEMENT DE MALADIES DEPENDANTES DE LA PROTEINE KINASE
  申请人：NOVARTIS AG

  公开号：WO2005070431A1

  公开（公告）日：2005-08-04

  The invention relates to the use of pyrazolo[1,5a]pyrimidin-7-yl amine compounds and salts thereof in the treatment of kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases, novel pyrazolo[1,5a]pyrimidin-7-yl amine compounds, and a process for the preparation of the novel pyrazolo[1,5a]pyrimidin-7-yl amine compounds.

  该发明涉及使用吡唑并[1,5a]嘧啶-7-基胺化合物及其盐来治疗激酶依赖性疾病，并用于制备用于治疗该疾病的制药制剂，新的吡唑并[1,5a]嘧啶-7-基胺化合物，以及制备新的吡唑并[1,5a]嘧啶-7-基胺化合物的方法。
• Pyrrolopyrimidinone derivatives
  申请人：Tsutsumi Takaharu

  公开号：US20060160831A1

  公开（公告）日：2006-07-20

  A compound having GSK-3 inhibitory activity. A 1 and A 3 are a single bond, an aliphatic hydrocarbon group; A 2 and A 4 are a single bond, CO, COO, CONR, O, OCO, NR, NRCO, NRCOO, etc.; G 1 is a single bond, an aliphatic hydrocarbon, aromatic hydrocarbon, heterocyclic; G 2 is H, an aliphatic hydrocarbon, an alicyclic hydrocarbon, an aromatic hydrocarbon, heterocyclic; A 5 is a single bond, NR; R 2 is H, halogen, an aliphatic hydrocarbon, alicyclic hydrocarbon, aromatic hydrocarbon, heterocyclic; A 6 is a single bond, NR, CO, NRCO, NRCONR, CONR, COO, O, etc.; R 3 is H, halogen, nitro, saturated aliphatic hydrocarbon, alicyclic hydrocarbon, aromatic hydrocarbon, heterocyclic; and R 3 may be a trimethylsilyl, formyl, acyl, carboxyl, alkoxylcarbonyl, carbamoyl, alkylcarbamoyl, or cyano group when A 6 is CR═CR or C≡C, wherein R is H or an lower aliphatic hydrocarbon group.

  具有GSK-3抑制活性的化合物。A1和A3是单键，脂肪烃基; A2和A4是单键，CO，COO，CONR，O，OCO，NR，NRCO，NRCOO等; G1是单键，脂肪烃，芳香烃，杂环; G2是H，脂肪烃，脂环烃，芳香烃，杂环; A5是单键，NR; R2是H，卤素，脂肪烃，脂环烃，芳香烃，杂环; A6是单键，NR，CO，NRCO，NRCONR，CONR，COO，O等; R3是H，卤素，硝基，饱和脂肪烃，脂环烃，芳香烃，杂环; 当A6为CR═CR或C≡C时，R3可以是三甲基硅烷基，甲酰基，酰基，羧基，烷氧基羰基，氨基甲酰基，烷基氨甲酰基或氰基。其中R是H或低级脂肪烃基。
• PYRROLOPYRIMIDINONE DERIVATIVE
  申请人：Teijin Pharma Limited

  公开号：EP1661897A1

  公开（公告）日：2006-05-31

  A compound having GSK-3 inhibitory activity. A1 and A3 are a single bond, an aliphatic hydrocarbon; A2 and A4 are a single bond, CO, COO, etc.; G1 is a single bond, an alicyclic hydrocarbon, aromatic hydrocarbon, etc.; G2 is H, an aliphatic hydrocarbon, an alicyclic hydrocarbon, an aromatic hydrocarbon, etc.; A5 is a single bond, NR; R2 is H, halogen, an aliphatic hydrocarbon, etc.; A6 is a single bond, NR, CO, etc.; R3 is H, halogen, nitro, saturated aliphatic hydrocarbon, etc.; and wherein R is H or an lower aliphatic hydrocarbon group.

  具有 GSK-3 抑制活性的化合物。 A1 和 A3 是单键、脂肪烃；A2 和 A4 是单键、CO、COO 等；G1 是单键、脂环烃、芳香烃等；G2 是 H、脂肪烃、脂环烃、芳香烃等。A5 是单键、NR；R2 是 H、卤素、脂肪烃等；A6 是单键、NR、CO 等；R3 是 H、卤素、硝基、饱和脂肪烃等；其中 R 是 H 或低级脂肪烃基。