3-(dimethylamino)-1-(furan-2-yl)-2-(pyridin-4-yl)-2-propen-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(dimethylamino)-1-(furan-2-yl)-2-(pyridin-4-yl)-2-propen-1-one
• 英文别名: 3-(dimethylamino)-1-(2-furyl)-2-(4-pyridyl)-2-propen-1-one；3-(dimethylamino)-1-(furan-2-yl)-2-(pyridin-4-yl)-2-propene-1-one；3-(dimethylamino)-1-(2-furyl)-2-(4-pyridyl)-2-propene-1-one；(E)-3-(dimethylamino)-1-(furan-2-yl)-2-pyridin-4-ylprop-2-en-1-one
• 化学式: C₁₄H₁₄N₂O₂
• 分子量: 242.277
• InChiKey: CITGMZFNHZEDQA-ZRDIBKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  46.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(dimethylamino)-1-(furan-2-yl)-2-(pyridin-4-yl)-2-propen-1-one 、 氰乙酰胺 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以72%的产率得到6-(2-furyl)-2-oxo-5-(4-pyridyl)-1,2-dihydro-3-pyridinecarbonitrile
  参考文献：
  名称：

  2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS

  摘要：

  公开号：

  EP1308441B1
• 作为产物：
  描述：

  1-呋喃-2-基-2-吡啶-4-基-乙酮 、 N,N-二甲基甲酰胺二甲基缩醛 以97%的产率得到3-(dimethylamino)-1-(furan-2-yl)-2-(pyridin-4-yl)-2-propen-1-one
  参考文献：
  名称：

  Medicinal compositions promoting bowel movement

  摘要：

  本发明提供了一种药物，具有温和而强效的促进排便作用，而不会引起腹泻。也就是说，提供了一种促进排便的药剂，包括一种具有腺苷A2受体拮抗作用的化合物，最好是腺苷A2B受体拮抗作用，或其盐。

  公开号：

  US20030171383A1

文献信息

• 2-Aminopyridine compounds and use thereof as drugs
  申请人：——

  公开号：US20040006082A1

  公开（公告）日：2004-01-08

  The present invention provides 2-aminopyridine compound having an excellent adenosine receptor (A 1 , A 2a , A 2b receptors) antagonism, which is represented by the following formula: 1 (wherein, R 1 represents cyano group, carboxyl group or an optionally substituted carbamoyl group; R 2 represents hydrogen atom, hydroxyl group, an optionally substituted C 1-6 alkoxy group, an optionally substituted C 6-14 aromatic hydrocarbon cyclic group or an optionally substituted 5- to 14-membered aromatic heterocyclic group; and R 3 and R 4 are the same as or different from each other and each represents a C 6-14 aromatic hydrocarbon cyclic group, a 5- to 14-membered non-aromatic heterocyclic group or a 5- to 14-membered aromatic heterocyclic group which may be substituted, respectively) or a salt thereof.

  本发明提供了一种具有优异腺苷受体（A1、A2a、A2b 受体）拮抗作用的 2-氨基吡啶化合物，其化学式如下：1（其中，R1代表氰基、羧基或可选择取代的氨基甲酰基；R2代表氢原子、羟基、可选择取代的C1-6烷氧基、可选择取代的C6-14芳香烃环基或可选择取代的 5-到 14-成员芳香杂环基；R3和 R4相同或不同，分别代表 C6-14芳香烃环基、 5-到 14-成员非芳香杂环基或可选择取代的 5-到 14-成员芳香杂环基，或其盐。
• Pyrimidone compounds and pharmaceutical compositions containing the same
  申请人：——

  公开号：US20040259865A1

  公开（公告）日：2004-12-23

  The present invention provides a medicament having a gentle but strong defecation-promoting action without causing diarrhea. That is, it provides a defecation-promoting agent comprising a compound having an adenosine A 2 receptor antagonism, preferably an adenosine A 2b receptor antagonism, or a salt thereof.

  本发明提供了一种药物，具有温和但强效的促进排便作用，而不会引起腹泻。也就是说，它提供了一种促进排便的药剂，包括具有腺苷A2受体拮抗作用的化合物，优选为腺苷A2b受体拮抗剂或其盐。
• Pyrimidine compound and medicinal composition thereof
  申请人：Harada Hitoshi

  公开号：US20050004149A1

  公开（公告）日：2005-01-06

  The present invention provides a novel pyrimidine compound having an excellent adenosine receptor (A 1 , A 2A , A 2B receptor) antagonistic action. More specifically, it provides a compound represented by the following formula, a salt thereof or a solvate of them. In the formula, R 1 and R 2 are the same as or different from each other and each represents a hydrogen atom, an alkyl group having one to six carbon atoms which may be substituted, an alkenyl group having two to six carbon atoms which may be substituted, an alkynyl group having two to six carbon atoms which may be substituted, a cycloalkyl group having three to eight carbon atoms which may be substituted, a cycloalkenyl group having three to eight carbon atoms which may be substituted, a 5 to 14-membered non-aromatic heterocyclic group which may be substituted, an aromatic hydrocarbon cyclic group having six to fourteen carbon atoms which may be substituted, a 5 to 14-membered aromatic heterocyclic group which may be substituted, an acyl group having one to six carbon atoms which may be substituted or an alkylsulfonyl group having one to six carbon atoms which may be substituted; R 3 represents a hydrogen atom, a halogen atom, a cyano group, an alkyl group having one to six carbon atoms which may be substituted, an alkenyl group having two to six carbon atoms which may be substituted, an alkynyl group having two to six carbon atoms which may be substituted, an aromatic hydrocarbon cyclic group having six to fourteen carbon atoms which may be substituted, a 5 to 14-membered aromatic heterocyclic group which may be substituted, a nitrogen atom which may be substituted, an oxygen atom which may be substituted or a sulfur atom which may be substituted; R 4 represents an aromatic hydrocarbon cyclic group having six to fourteen carbon atoms which may be substituted, a 5 to 14-membered aromatic heterocyclic group which may be substituted or a 5 to 14-membered non-aromatic heterocyclic group having at least one or more unsaturated bonds which may be substituted; and R 5 represents an aromatic hydrocarbon cyclic group having six to fourteen carbon atoms which may be substituted or a 5 to 14-membered aromatic heterocyclic group which may be substituted.

  本发明提供了一种新型嘧啶化合物，具有优异的腺苷受体（A1、A2A、A2B受体）拮抗作用。更具体地，提供了下式所示的化合物、其盐或其溶剂化物。其中，R1和R2相同或不同，分别代表氢原子、可被取代的具有1至6个碳原子的烷基、可被取代的具有2至6个碳原子的烯基、可被取代的具有2至6个碳原子的炔基、可被取代的具有3至8个碳原子的环烷基、可被取代的具有3至8个碳原子的环烯基、可被取代的5至14个成员的非芳香杂环基、可被取代的具有6至14个碳原子的芳香烃环基、可被取代的5至14个成员的芳香杂环基、可被取代的具有1至6个碳原子的酰基或可被取代的具有1至6个碳原子的烷基磺酰基；R3代表氢原子、卤素原子、氰基、可被取代的具有1至6个碳原子的烷基、可被取代的具有2至6个碳原子的烯基、可被取代的具有2至6个碳原子的炔基、可被取代的具有6至14个碳原子的芳香烃环基、可被取代的5至14个成员的芳香杂环基、可被取代的氮原子、可被取代的氧原子或可被取代的硫原子；R4代表可被取代的具有6至14个碳原子的芳香烃环基、可被取代的5至14个成员的芳香杂环基或可被取代的具有至少一个或多个不饱和键的5至14个成员的非芳香杂环基；而R5代表可被取代的具有6至14个碳原子的芳香烃环基或可被取代的5至14个成员的芳香杂环基。
• Pharmaceutical composition promoting defecation
  申请人：Yasuda Masahiro

  公开号：US20060270674A1

  公开（公告）日：2006-11-30

  The present invention provides a medicament having a gentle but strong defecation-promoting action without causing diarrhea. That is, it provides a defecation-promoting agent comprising a compound having an adenosine A 2 receptor antagonism, preferably an adenosine A 2b receptor antagonism, or a salt thereof.

  本发明提供了一种药物，具有温和而强效的促排便作用，而不会引起腹泻。即，提供了一种促排便剂，包括具有腺苷A2受体拮抗作用的化合物，优选为腺苷A2b受体拮抗作用的化合物或其盐。
• PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF
  申请人：Harada Hitoshi

  公开号：US20090030023A1

  公开（公告）日：2009-01-29

  A compound represented by the following formula (I), a salt, or a solvate thereof: wherein, R 1 and R 2 are the same as or different from each other and each represents a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a cycloalkenyl group, a non-aromatic heterocyclic group, an aromatic hydrocarbon cyclic group, an aromatic heterocyclic group, an acyl group or an alkylsulfonyl group all of which may be substituted and wherein one, or both, of R 1 or R 2 is an aromatic, or non-aromatic, heterocyclic group which may be substituted; R 3 represents a hydrogen atom, a halogen atom, a cyano group, an alkyl group, an alkenyl group, an alkynyl group, an aromatic hydrocarbon cyclic group, an aromatic heterocyclic group, a nitrogen atom, an oxygen atom or a sulfur atom all of which may be substituted if possible; and R 4 is a pyridyl group which may be substituted.

  以下是化合物（I）的化学式，盐或其溶剂化物： 其中，R1和R2相同或不同，每个代表氢原子，烷基，烯基，炔基，环烷基，环烯基，非芳香杂环基，芳香烃环基，芳香杂环基，酰基或烷基磺酰基，所有这些基团都可以被取代，其中R1或R2中的一个或两个是可能被取代的芳香或非芳香杂环基；R3代表氢原子，卤素原子，氰基，烷基，烯基，炔基，芳香烃环基，芳香杂环基，氮原子，氧原子或硫原子，所有这些基团都可以被取代；R4是可能被取代的吡啶基团。