2-(3-oxo-4-(pyridin-3-yl)-3,5-dihydro-2H-chromeno[4,3-c]pyridazin-2-yl)benzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-(3-oxo-4-(pyridin-3-yl)-3,5-dihydro-2H-chromeno[4,3-c]pyridazin-2-yl)benzonitrile
• 英文别名: 2-(2-cyanophenyl)-4-(pyridin-3-yl)-2,3-dihydro-5H-(1)benzopyrano[4,3-c]pyridazin-3-one；2-(2-cyanophenyl)-4-(3-pyridyl)-2,3-dihydro-5H-(1)benzopyrano[4,3-c]pyridazin-3-one；2-(3-oxo-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-2-yl)benzonitrile
• 化学式: C₂₃H₁₄N₄O₂
• 分子量: 378.39
• InChiKey: DMPSSFJELMETKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(pyridin-3-ylmethylene)chroman-4-one 在 盐酸 、 四(三苯基膦)钯 、 氯化铵 、 溶剂黄146 作用下， 以 N-甲基吡咯烷酮 、 水 、 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 13.33h， 生成 2-(3-oxo-4-(pyridin-3-yl)-3,5-dihydro-2H-chromeno[4,3-c]pyridazin-2-yl)benzonitrile
  参考文献：
  名称：

  Pyranodipyridine Compound

  摘要：

  由化学式(I)到(XXII)表示的化合物或其药用可接受的盐：

  公开号：

  US20170137436A1

文献信息

• Pyridazinones and triazinones and medicinal use thereof
  申请人：——

  公开号：US20030225081A1

  公开（公告）日：2003-12-04

  The present invention provides a novel compound exhibiting an excellent inhibitory action on AMPA receptor and/or kainate receptor. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. 1 In the formula, A 1 , A 2 and A 3 are independent of each other and each represents a C 3-8 cycloalkyl group, a C 3-8 cycloalkenyl group, a 5- to 14-membered non-aromatic heterocyclic group, a C 6-14 aromatic hydrocarbon cyclic group or a 5- to 14-membered aromatic heterocyclic group, each of which may be substituted; Q represents O, S or NH; Z represents C or N; X 1 , X 2 and X 3 are independent of each other and each represents a single bond, an optionally substituted C 1-6 alkylene group, an optionally substituted C 2-6 alkenylene group, an optionally substituted C 2-6 alkynylene group, —NH—, —O—, —NHCO—, —CONH—, —SO 0-2 , etc.; R 1 and R 2 are independent of each other and each represents a hydrogen atom or an optionally substituted C 1-6 alkyl group, or R 1 and R 2 may be bound together such that CR 2 -ZR 1 forms C═C; and R 3 represents a hydrogen atom or an optionally substituted C 1-6 alkyl group etc., or may be bound to any atom in A 1 or A 3 to form, together with the atom, an optionally substituted C 5-8 hydrocarbon ring or an optionally substituted 5- to 8-membered heterocyclic ring.

  本发明提供了一种在AMPA受体和/或翘曲酸受体上表现出优异的抑制作用的新型化合物。也就是说，它提供了以下公式所代表的化合物、其盐或其水合物。在该公式中，A1、A2和A3彼此独立，每个代表一个C3-8环烷基、一个C3-8环烯基、一个5-至14-成员非芳香杂环基、一个C6-14芳香烃环基或一个5-至14-成员芳香杂环基，每个都可以被取代；Q代表O、S或NH；Z代表C或N；X1、X2和X3彼此独立，每个代表一个单键，一个可选择取代的C1-6烷基基团，一个可选择取代的C2-6烯基基团，一个可选择取代的C2-6炔基基团，—NH—、—O—、—NHCO—、—CONH—、—SO0-2等；R1和R2彼此独立，每个代表一个氢原子或一个可选择取代的C1-6烷基基团，或者R1和R2可以结合在一起，使得CR2-ZR1形成C═C；和R3代表一个氢原子或一个可选择取代的C1-6烷基基团等，或者可以与A1或A3中的任何原子结合，与该原子一起形成一个可选择取代的C5-8碳氢环或一个可选择取代的5-至8-成员杂环环。
• CRYSTALS OF PYRANODIPYRIDINE COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US20210323972A1

  公开（公告）日：2021-10-21

  The present invention provides a crystal of the compound represented by formula (I) having applicability as a drug substance of pharmaceuticals.

  本发明提供了一种由式（I）所代表的化合物的晶体，具有作为制药药物物质的适用性。
• Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations
  申请人：Nagato Satoshi

  公开号：US20060189622A1

  公开（公告）日：2006-08-24

  The present invention provides a novel compound exhibiting an excellent inhibitory action on AMPA receptor and/or kainate receptor. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. In the formula, A 1 , A 2 and A 3 are independent of each other and each represents a C 3-8 cycloalkyl group, a C 3-8 cycloalkenyl group, a 5- to 14-membered non-aromatic heterocyclic group, a C 6-14 aromatic hydrocarbon cyclic group or a 5- to 14-membered aromatic heterocyclic group, each of which may be substituted; Q represents O, S or NH; Z represents C or N; X 1 , X 2 and X 3 are independent of each other and each represents a single bond, an optionally substituted C 1-6 alkylene group, an optionally substituted C 2-6 alkenylene group, an optionally substituted C 2-6 alkynylene group, —NH—, —O—, —NHCO—, —CONH—, —SO 0-2 —, etc.; R 1 and R 2 are independent of each other and each represents a hydrogen atom or an optionally substituted C 1-6 alkyl group, or R 1 and R 2 may be bound together such that CR 2 -ZR 1 forms C═C; and R 3 represents a hydrogen atom or an optionally substituted C 1-6 alkyl group etc., or may be bound to any atom in A 1 or A 3 to form, together with the atom, an optionally substituted C 5-8 hydrocarbon ring or an optionally substituted 5- to 8-membered heterocyclic ring.

  本发明提供了一种新型化合物，它表现出对AMPA受体和/或kainate受体的优异抑制作用。即，它提供了由以下公式表示的化合物，其盐或水合物。在该公式中，A1、A2和A3相互独立，每个表示C3-8环烷基、C3-8环烯基、5-至14元非芳杂环基、C6-14芳香烃环基或5-至14元芳香杂环基，每个都可以被取代；Q表示O、S或NH；Z表示C或N；X1、X2和X3相互独立，每个表示单键、可选取代的C1-6烷基、可选取代的C2-6烯基、可选取代的C2-6炔基、—NH—、—O—、—NHCO—、—CONH—、—SO0-2—等；R1和R2相互独立，每个表示氢原子或可选取代的C1-6烷基，或者R1和R2可以结合在一起，使CR2-ZR1形成C═C；R3表示氢原子或可选取代的C1-6烷基等，或者可以与A1或A3中的任何原子结合，在一起形成可选取代的C5-8碳氢环或可选取代的5-至8元杂环。
• PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF
  申请人：Eisai Co., Ltd.

  公开号：EP1319659A1

  公开（公告）日：2003-06-18

  The present invention provides a novel compound exhibiting an excellent inhibitory action on AMPA receptor and/or kainate receptor. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them.    In the formula, A1, A2 and A3 are independent of each other and each represents a C3-8 cycloalkyl group, a C3-8 cycloalkenyl group, a 5- to 14-membered non-aromatic heterocyclic group, a C6-14 aromatic hydrocarbon cyclic group or a 5- to 14-membered aromatic heterocyclic group, each of which may be substituted; Q represents O, S or NH; Z represents C or N; X1, X2 and X3 are independent of each other and each represents a single bond, an optionally substituted C1-6 alkylene group, an optionally substituted C2-6 alkenylene group, an optionally substituted C2-6 alkynylene group, -NH-, -O-, -NHCO-, -CONH-, -SO0-2-, etc.; R1 and R2 are independent of each other and each represents a hydrogen atom or an optionally substituted C1-6 alkyl group, or R1 and R2 may be bound together such that CR2-ZR1 forms C=C; and R3 represents a hydrogen atom or an optionally substituted C1-6 alkyl group etc., or may be bound to any atom in A1 or A3 to form, together with the atom, an optionally substituted C5-8 hydrocarbon ring or an optionally substituted 5- to 8-membered heterocyclic ring.

  本发明提供了一种对 AMPA 受体和/或 kainate 受体具有良好抑制作用的新型化合物。也就是说，本发明提供了由下式代表的化合物、其盐或它们的水合物。 式中，A1、A2 和 A3 相互独立，各自代表 C3-8 环烷基、C3-8 环烯基、5-14 元非芳香杂环基、C6-14 芳香烃环基或 5-14 元芳香杂环基，其中每个基团都可以被取代；Q代表O、S或NH； Z代表C或N； X1、X2和X3彼此独立，各自代表单键、任选取代的C1-6亚烷基、任选取代的C2-6亚烯基、任选取代的C2-6亚炔基、-NH-、-O-、-NHCO-、-CONH-、-SO0-2-等。R1 和 R2 相互独立，各自代表氢原子或任选取代的 C1-6 烷基，或 R1 和 R2 可结合在一起，使 CR2-ZR1 形成 C=C；R3 代表氢原子或任选取代的 C1-6 烷基等、或可与 A1 或 A3 中的任一原子结合，与该原子一起形成任选取代的 C5-8 碳氢环或任选取代的 5-8 元杂环。
• PYRANODIPYRIDINE COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP3378863A1

  公开（公告）日：2018-09-26

  Compounds represented by formulae (I) to (XXII) or pharmaceutically acceptable salts thereof:

  式 (I) 至 (XXII) 所代表的化合物或其药学上可接受的盐类：