diethyl 2-(6-ethoxy-pyridin-3-ylaminomethylene)malonate | 162220-83-9

• 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: diethyl 2-(6-ethoxy-pyridin-3-ylaminomethylene)malonate
• 英文别名: diethyl (2-ethoxy-5-pyridylaminomethylene)malonate；diethyl 2-(6-ethoxy-3-pyridylaminomethylene)malonate；Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate；diethyl 2-[[(6-ethoxypyridin-3-yl)amino]methylidene]propanedioate
• CAS: 162220-83-9
• 化学式: C₁₅H₂₀N₂O₅
• 分子量: 308.334
• InChiKey: OGGXZYQLCGRLJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  86.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diethyl 2-(6-ethoxy-pyridin-3-ylaminomethylene)malonate 在 乙醚 、 hexanes 作用下， 以 二苯醚 为溶剂， 反应 0.5h， 以to gave 2.98 g of ethyl 6-ethoxy-4-oxo-1,4-dihydro-1,5-naphthyridine-3-carboxylate as a tan solid的产率得到6-ethoxy-4-oxo-1,4-dihydro[1,5]naphthyridine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands

  摘要：

  本发明涵盖了Formula1的结构或其药学上可接受的非毒性盐，其中：X为氢、卤素、(未)取代烷基、(未)取代烷氧基或氨基；Y为(未)取代烷基、芳基或杂环芳基，这些化合物是高度选择性的GABAa脑受体的激动剂、拮抗剂或反向激动剂，或者是GABAa脑受体激动剂、拮抗剂或反向激动剂的前药。这些化合物在焦虑、唐氏综合症、睡眠、认知和癫痫障碍、苯二氮平类药物过量和警觉性增强的诊断和治疗中有用。

  公开号：

  US20020156280A1
• 作为产物：
  描述：

  5-氨基-2-乙氧基吡啶 、 乙氧基甲叉丙二酸二乙酯 在 hexanes 、 乙醚 作用下， 反应 4.5h， 以to afford 6.04 g of diethyl (2-ethoxy-5-pyridylaminomethylene)malonate as a beige solid的产率得到diethyl 2-(6-ethoxy-pyridin-3-ylaminomethylene)malonate
  参考文献：
  名称：

  Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands

  摘要：

  本发明涵盖了Formula1的结构或其药学上可接受的非毒性盐，其中：X为氢、卤素、(未)取代烷基、(未)取代烷氧基或氨基；Y为(未)取代烷基、芳基或杂环芳基，这些化合物是高度选择性的GABAa脑受体的激动剂、拮抗剂或反向激动剂，或者是GABAa脑受体激动剂、拮抗剂或反向激动剂的前药。这些化合物在焦虑、唐氏综合症、睡眠、认知和癫痫障碍、苯二氮平类药物过量和警觉性增强的诊断和治疗中有用。

  公开号：

  US20020156280A1

文献信息

• Condensed 4-aminopyridines with antirheumatic activity
  申请人：Knoll Aktiengesellschaft

  公开号：US05780482A1

  公开（公告）日：1998-07-14

  Compounds of formula I ##STR1## and pharmaceutically acceptable salts thereof in which one of A or B represents N and the other represents N or C--R.sub.3 ; R.sub.1 represents hydrogen, halo, alkyl, hydroxy, carboxyalkenyl, alkoxycarbonylalkenyl, hydroxyalkyl, carboxyalkyl, alkoxycarbonylalkyl, alkoxy, halogenated alkyl, carboxy, alkoxycarbonyl, alkanoylamino or carbamoylalkenyl; R.sub.2 represents hydrogen, alkyl, halo, alkoxy, hydroxy, alkanoyloxy, or phenoxy; R.sub.3 represents hydrogen or alkyl; R.sub.4 represents hydrogen, halo, alkoxycarbonyl, cyano, benzyloxycarbonyl, alkanoyl, benzoyl, alkyl, carboxy, alkylthio or carbamoyl; R.sub.5 represents hydrogen or alkyl; R.sub.9 represents hydrogen or alkyl; R.sub.10 represents phenyl, pyridyl or pyrimidinyl substituted by OR.sub.6 and optionally further substituted wherein R.sub.6 represents hydrogen, alkyl, alkoxycarbonyl or carbamoyl, alicyclic hydrocarbon, phenyl, cycloalkylalkyl, arylalkyl or pyridyl; or when R.sub.10 represents phenyl, OR.sub.6 represents a monosaccharide group or a disaccharide group; which are antirheumatic agents. Compositions containing these compounds and processes to prepare them are also disclosed.

  化学式I的化合物及其药学上可接受的盐，其中A或B中的一个代表N，另一个代表N或C--R.sub.3；R.sub.1代表氢、卤素、烷基、羟基、羧烯基、烷氧羰基烯基、羟基烷基、羧基烷基、烷氧羰基烷基、烷氧基、卤代烷基、羧基、烷氧羰基、烷酰胺基或氨基烯基；R.sub.2代表氢、烷基、卤素、烷氧基、羟基、烷酰氧基或苯氧基；R.sub.3代表氢或烷基；R.sub.4代表氢、卤素、烷氧羰基、氰基、苄氧羰基、烷酰基、苯甲酰基、烷基、羧基、烷硫基或氨基甲酰；R.sub.5代表氢或烷基；R.sub.9代表氢或烷基；R.sub.10代表苯基、吡啶基或嘧啶基，被OR.sub.6取代，并且可选择进一步取代，其中R.sub.6代表氢、烷基、烷氧羰基或氨基，脂环烃、苯基、环烷基烷基、芳基烷基或吡啶基；或当R.sub.10代表苯基时，OR.sub.6代表单糖基或双糖基；这些化合物是抗风湿药物。揭示了含有这些化合物的组合物和制备它们的方法。
• Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands
  申请人：Neurogen Corporation, Corporation of the State of Delaware

  公开号：US20020156280A1

  公开（公告）日：2002-10-24

  The present invention encompasses structures of the Formula 1 or the pharmaceutically acceptable non-toxic salts thereof wherein: X is hydrogen, halogen, (un)substituted alkyl, (un)substituted alkoxy or amino; and Y is (un)substituted alkyl, aryl, or heteroaryl, which compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors. These compounds are useful in the diagnosis and treatment of anxiety, Down Syndrome, sleep, cognitive and seizure disorders, and overdose with benzodiazepine drugs and for enhancement of alertness.

  本发明涵盖了Formula1的结构或其药学上可接受的非毒性盐，其中：X为氢、卤素、(未)取代烷基、(未)取代烷氧基或氨基；Y为(未)取代烷基、芳基或杂环芳基，这些化合物是高度选择性的GABAa脑受体的激动剂、拮抗剂或反向激动剂，或者是GABAa脑受体激动剂、拮抗剂或反向激动剂的前药。这些化合物在焦虑、唐氏综合症、睡眠、认知和癫痫障碍、苯二氮平类药物过量和警觉性增强的诊断和治疗中有用。
• Substituted 4-OXO-napthyridine-3-carboxamides; GABA brain receptor ligands
  申请人：Neurogen Corporation

  公开号：US06399604B1

  公开（公告）日：2002-06-04

  The present invention encompasses structures of the Formula or the pharmaceutically acceptable non-toxic salts thereof wherein: X is hydrogen, halogen, (un)substituted alkyl, (un)substituted alkoxy or amino; and Y is (un)substituted alkyl, aryl, or heteroaryl, which compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors. These compounds are useful in the diagnosis and treatment of anxiety, Down Syndrome, sleep, cognitive and seizure disorders, and overdose with benzodiazepine drugs and for enhancement of alertness.

  本发明涉及公式的结构或其药学上可接受的非毒性盐，其中：X为氢、卤素、(未)取代烷基、(未)取代烷氧基或氨基；而Y为(未)取代烷基、芳基或杂环芳基。这些化合物是高度选择性的GABAa脑受体激动剂、拮抗剂或反向激动剂，或是GABAa脑受体激动剂、拮抗剂或反向激动剂的前药。这些化合物在焦虑症、唐氏综合征、睡眠、认知和癫痫障碍的诊断和治疗以及苯二氮䓬类药物过量和提高警觉性方面是有用的。
• Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor
  申请人：Neurogen Corporation

  公开号：US06143760A1

  公开（公告）日：2000-11-07

  The present invention encompasses structures of the Formula ##STR1## or the pharmaceutically acceptable non-toxic salts thereof wherein: x is hydrogen, halogen, (un)substituted alkyl, (un)substituted alkoxy or amino; and Y is (un)substituted alkyl, aryl, or heteroaryl, which compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors. These compounds are useful in the diagnosis and treatment of anxiety, Down Syndrome, sleep, cognitive and seizure disorders, and overdose with benzodiazepine drugs and for enhancement of alertness.

  本发明涵盖了结构为##STR1##或其药学上可接受的非毒性盐的化合物，其中：x是氢、卤素、（未）取代烷基、（未）取代烷氧基或氨基；Y是（未）取代烷基、芳基或杂环芳基，这些化合物是高度选择性的GABAa脑受体的激动剂、拮抗剂或反向激动剂，或者是GABAa脑受体激动剂、拮抗剂或反向激动剂的前药。这些化合物在焦虑、唐氏综合症、睡眠、认知和癫痫障碍、苯二氮平药物过量和警觉性增强的诊断和治疗中有用。
• TANAKA, XIROSI;ATSUMI, XAYAO
  作者：TANAKA, XIROSI、ATSUMI, XAYAO

  DOI：——

  日期：——