4-(4-Chlorophenyl)-2-[2-(N,N-diethylamino)ethylamino]-3,4-dihydro-3-oxopyrido[2,3-b]pyrazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶吡嗪类
• 英文名称: 4-(4-Chlorophenyl)-2-[2-(N,N-diethylamino)ethylamino]-3,4-dihydro-3-oxopyrido[2,3-b]pyrazine
• 英文别名: 4-(4-chlorophenyl)-2-[2-(diethylamino)ethylamino]pyrido[2,3-b]pyrazin-3-one
• 化学式: C₁₉H₂₂ClN₅O
• 分子量: 371.87
• InChiKey: ACEGARVITXDRTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-chloro-4-(4-chlorophenyl)-3,4-dihydro-3-oxopyrido[2,3-b]pyrazine 、 N,N-二乙基乙二胺 以 乙醇 为溶剂， 以gave the title compound mp 149°-150° C.的产率得到4-(4-Chlorophenyl)-2-[2-(N,N-diethylamino)ethylamino]-3,4-dihydro-3-oxopyrido[2,3-b]pyrazine
  参考文献：
  名称：

  3,4-Dihydro-3-oxopyrido[2,3-b]-pyrazines, compositions and use thereof

  摘要：

  本文描述了化合物I的公式，其中R.sub.1是被卤素，烷氧基，烷基，羧基-烷基，--NR.sub.4 R.sub.5，羧酸或烷氧基羰基取代的苯基，R.sub.3是氢，烷基，单或双羧基烷基，卤素，烷氧基，苯基，卤代苯基，羟基，苯氧基，硫醇，硫代烷氧基，硫代苯氧基，--NR.sub.4 R.sub.5，氰基，--COOH，羧酰脲基，--CF.sub.3，--COR.sub.6，羟基烷基，氨基烷基或被NR.sub.4 R.sub.5取代的烷氧基，环A是苯环或吡啶环，可携带多达4个取代基R.sub.3，它们可能相同或不同，R.sub.4和R.sub.5，它们可能相同或不同，均代表氢，苯基，卤代苯基或烷基，该烷基可被烷氧基或单或双烷基或未取代氨基取代；或R.sub.4和R.sub.5与它们附着的氮原子一起形成哌啶，吗啉或可选地烷基取代的哌嗪环，R.sub.6是氢或烷基，前提是（i）当R.sub.1是被氯或溴取代的苯基时，环A不是被氯或溴取代的苯环，或（ii）当R.sub.1是被甲氧基取代的苯基时，R.sub.3不是苯基，以及其药学上可接受的盐，酯和酰胺。还描述了制备这些化合物的方法和含有这些化合物的药物，例如抗炎药物。

  公开号：

  US04296114A1

文献信息

• Pyridopyrazine and quinoxaline derivatives, processes for their preparation, and pharmaceutical compositions containing them
  申请人：FISONS plc

  公开号：EP0008864A1

  公开（公告）日：1980-03-19

  There are described compounds of formula I, in which R1 is phenyl substituted by halogen, alkoxy, alkyl, carboxy-alkyl, -NR4R5, carboxy or alkoxy carbonyl, R3 is hydrogen, alkyl, mono- or di-carboxy alkyl, halo, alkoxy, phenyl, halo-phenyl, hydroxy, phenoxy, thiol, thioalkoxy, thiophenoxy, -NR4Rs, cyano, -COOH, carboxyureido, -CF3, -CORe, hydroxyalkyl, aminoalkyl, or alkoxy substituted by NR4R5, ring A is a benzene or a pyridine ring which optionally carries up to 4 substituents R3, which may be the same or different, R4 and Rs, which may be the same or different, each represent hydrogen, phenyl, halophenyl or alkyl, the alkyl optionally being substituted by alkoxy or by a mono- or di- alkyl or unsubstituted amino group; or R4 and Rs, together with the nitrogen atom to which they are attached, form a piperidine, morpholine or an optionally alkyl substitued piperazine ring, and R6 is hydrogen or alkyl, provided that (i) when R, is phenyl substituted by chlorine or bromine, ring A is not a benzene ring substituted by chlorine or bromine, or (ii) when R, is phenyl substituted by methoxy R3 is not phenyl, and pharmaceutically acceptable salts, esters and amides thereof. There are also described methods for making the compounds and pharmaceutical, e.g. anti-inflammatory, compositions containing the compounds.

  所述化合物为式 I、 其中 R1 是被卤素、烷氧基、烷基、羧基、-NR4R5、羧基或烷氧基羰基取代的苯基、 R3 是氢、烷基、一羧基或二羧基烷基、卤素、烷氧基、苯基、卤代苯基、羟基、苯氧基、硫醇、硫代烷氧基、噻吩氧基、-NR4Rs、氰基、-COOH、羧基脲基、-CF3、-CORe、羟基烷基、氨基烷基或被 NR4R5 取代的烷氧基、 环 A 是苯环或吡啶环，可选择带有最多 4 个取代基 R3，它们可以相同或不同、 R4和Rs（可以相同或不同）各自代表氢、苯基、卤代苯基或烷基，烷基可选择被烷氧基或单烷基或二烷基或未取代的氨基取代；或R4和Rs与它们所连接的氮原子一起形成哌啶、吗啉或可选择被烷基取代的哌嗪环，以及 R6 为氢或烷基、 但 (i) 当 R 为被氯或溴取代的苯基时，环 A 不是被氯或溴取代的苯环，或 (ii) 当 R 为被甲氧基取代的苯基时，R3 不是苯基、 及其药学上可接受的盐、酯和酰胺。 此外，还介绍了制造这些化合物的方法以及含有这些化合物的药物组合物，例如消炎组合物。
• US4296114A
  申请人：——

  公开号：US4296114A

  公开（公告）日：1981-10-20
• 3,4-Dihydro-3-oxopyrido[2,3-b]-pyrazines, compositions and use thereof
  申请人：Fisons Limited

  公开号：US04296114A1

  公开（公告）日：1981-10-20

  There are described compounds of formula I, ##STR1## in which R.sub.1 is phenyl substituted by halogen, alkoxy, alkyl, carboxy-alkyl, --NR.sub.4 R.sub.5, carboxy or alkoxy carbonyl, R.sub.3 is hydrogen, alkyl, mono- or di-carboxy alkyl, halo, alkoxy, phenyl, halo-phenyl, hydroxy, phenoxy, thiol, thioalkoxy, thiophenoxy, --NR.sub.4 R.sub.5, cyano, --COOH, carboxyureido, --CF.sub.3, --COR.sub.6, hydroxyalkyl, aminoalkyl, or alkoxy substituted by NR.sub.4 R.sub.5, ring A is a benzene or a pyridine ring which optionally carries up to 4 substituents R.sub.3, which may be the same or different, R.sub.4 and R.sub.5, which may be the same or different, each represent hydrogen, phenyl, halophenyl or alkyl, the alkyl optionally being substituted by alkoxy or by a mono- or di-alkyl or unsubstituted amino group; or R.sub.4 and R.sub.5, together with the nitrogen atom to which they are attached, form a piperidine, morpholine or an optionally alkyl substituted piperazine ring, and R.sub.6 is hydrogen or alkyl, provided that (i) when R.sub.1 is phenyl substituted by chlorine or bromine, ring A is not a benzene ring substituted by chlorine or bromine, or (ii) when R.sub.1 is phenyl substituted by methoxy R.sub.3 is not phenyl, and pharmaceutically acceptable salts, esters and amides thereof. There are also described methods for making the compounds and pharmaceutical, e.g. anti-inflammatory, compositions containing the compounds.

  描述了式I的化合物，其中R.sub.1是被卤素、烷氧基、烷基、羧基烷基、--NR.sub.4 R.sub.5、羧基或烷氧基羰基取代的苯基，R.sub.3是氢、烷基、单或双羧基烷基、卤素、烷氧基、苯基、卤代苯基、羟基、苯氧基、硫醇、硫代烷氧基、硫代苯氧基、--NR.sub.4 R.sub.5、氰基、--COOH、羧基脲基、--CF.sub.3、--COR.sub.6、羟基烷基、氨基烷基，或被NR.sub.4 R.sub.5取代的烷氧基，环A是苯环或吡啶环，可选地带有多达4个取代基R.sub.3，这些取代基可以相同也可以不同，R.sub.4和R.sub.5，可以相同也可以不同，每个代表氢、苯基、卤代苯基或烷基，其中烷基可选地被烷氧基、单烷基或双烷基或未取代氨基取代；或R.sub.4和R.sub.5，连同它们连接的氮原子，形成哌啶、吗啡或可选地烷基取代的哌嗪环，R.sub.6是氢或烷基，但是当R.sub.1是被氯或溴取代的苯基时，环A不是被氯或溴取代的苯环，或者当R.sub.1是被甲氧基取代的苯基时，R.sub.3不是苯基，以及药学上可接受的盐、酯和酰胺。还描述了制备这些化合物的方法和含有这些化合物的药物，例如抗炎药物。