2-(2-cyanophenyl)-4-phenyl-6-(2-pyrazinyl)-3-(2H)-pyridazinone | 404932-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(2-cyanophenyl)-4-phenyl-6-(2-pyrazinyl)-3-(2H)-pyridazinone
• 英文别名: 2-(2-cyanophenyl)-4-phenyl-6-(2-pyrazyl)-2H-pyridazin-3-one；2-(2-Cyanophenyl)-4-phenyl-6-(2-pyrazinyl)-3 (2H)-pyridazinone；2-(6-oxo-5-phenyl-3-pyrazin-2-ylpyridazin-1-yl)benzonitrile
• CAS: 404932-50-9
• 化学式: C₂₁H₁₃N₅O
• 分子量: 351.367
• InChiKey: YIDZBKZJLMWAKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-chloro-2-(2-cyanophenyl)-4-phenyl-3-(2H)-pyridazinone 、 2-(三正丁基锡)吡嗪 在 四(三苯基膦)钯 氮 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 邻二甲苯 为溶剂， 反应 2.0h， 以to give the title compound (14 mg) as a pale yellow solid的产率得到2-(2-cyanophenyl)-4-phenyl-6-(2-pyrazinyl)-3-(2H)-pyridazinone
  参考文献：
  名称：

  Pyridazinones and triazinones and medicinal use thereof

  摘要：

  本发明提供一种新型化合物，其表现出对AMPA受体和/或凯因酸受体的优异抑制作用。即提供以下式子所表示的化合物，其盐或水合物。 1式中，A1、A2和A3彼此独立，每个代表C3-8环烷基，C3-8环烯基，5-至14-成员非芳香杂环基，C6-14芳香烃环基或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，每个代表单键，可选地取代的C1-6烷基，可选地取代的C2-6烯基，可选地取代的C2-6炔基，-NH-，-O-，-NHCO-，-CONH-，-SO0-2等；R1和R2彼此独立，每个代表氢原子或可选地取代的C1-6烷基，或R1和R2可以结合在一起，使得CR2-ZR1形成C═C；R3代表氢原子或可选地取代的C1-6烷基等，或可以与A1或A3中的任何原子结合，与该原子一起形成可选地取代的C5-8烃环或可选地取代的5-至8-成员杂环。

  公开号：

  US20030225081A1

文献信息

• HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF
  申请人：Japan Tobacco, Inc.

  公开号：EP1953147A1

  公开（公告）日：2008-08-06

  The present invention aims at providing a novel heterocyclic compound having HCV entry inhibitory activity and the pharmaceutical use thereof. The present invention provides a therapeutic agent for hepatitis C comprising a heterocyclic compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof as an active ingredient: wherein Q1 is -N=, etc., Q2 is -N-, etc., Q3 is -N=, etc., Q4 is -N-, etc., Q5 is -N-, etc., R1 is a hydrogen atom, etc., R2 is a hydrogen atom, etc., ring A is a monocyclic aryl group optionally having substituent(s), etc., and ring B is a monocyclic aryl group optionally having substituent(s), etc.

  本发明旨在提供一种具有HCV进入抑制活性的新型杂环化合物及其药物用途。本发明提供了一种治疗丙型肝炎的治疗剂，其包括以下式[1]所表示的杂环化合物或其药学上可接受的盐作为活性成分：其中Q1为-N=等，Q2为-N-等，Q3为-N=等，Q4为-N-等，Q5为-N-等，R1为氢原子等，R2为氢原子等，环A为单环芳基，可选地具有取代基等，环B为单环芳基，可选地具有取代基等。
• 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。