1-amino-pyridazinium | 45509-28-2

• 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: 1-amino-pyridazinium
• 英文别名: Pyridazin-1-ium-1-amine
• CAS: 45509-28-2
• 化学式: C₄H₆N₃
• 分子量: 96.1117
• InChiKey: XACPDJMAAVPEKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-diazabicyclo[5.4.0]undec-7-ene 、 甲基3-(4-乙氧基苯基)-2-丙炔酸酯 、 1-amino-pyridazinium 在 氮 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以gave the title compound (1.2 g) as a sticky brown solid的产率得到2-(4-ethoxy-phenyl)-pyrazolo[1,5-b]pyridazine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders

  摘要：

  本发明涉及使用式（I）、（II）和（III）化合物及其药学上可接受的盐和溶剂，作为COX-2（环氧合酶-2）抑制剂，用于治疗精神分裂症。本发明的精神分裂症指精神分裂症、妄想性障碍、情感障碍、自闭症或抽动障碍、类精神分裂症、特别是慢性精神分裂症和分裂情感性精神病、暂时急性精神病性障碍。此外，本发明涉及使用一种称为COX-2抑制剂的嘧啶衍生物与神经精神药物结合治疗上述定义的精神分裂症。

  公开号：

  US20070142411A1

文献信息

• 2,3-Diaryl-pyrazolo[1,5-B]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors
  申请人：——

  公开号：US20030008872A1

  公开（公告）日：2003-01-09

  The invention provides the compounds of formula (I) 1 and pharmaceutically acceptable derivatives thereof in which: R 0 is halogen, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxy substituted by one or more fluorine atoms, or O(CH 2 ) n NR 4 R 5 ; R 1 and R 2 are independently selected from H, C 1-6 alkyl, C 1-6 alkyl substituted by one or more fluorine atoms, C 1-6 alkoxy, C 1-6 hydroxyalkyl, SC 1-6 alkyl, C(O)H, C(O)C 1-6 alkyl, C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2 ) n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 , (CH 2 ) n SC 1-6 alkyl or C(O)NR 4 R 5 ; with the proviso that when R 0 is at the 4-position and is halogen, at least one of R 1 and R 2 is C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2 ) n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 or (CH 2 ) n SC 1-6 alkyl, C(O)NR 4 R 5 ; R 3 is C 1-6 alkyl or NH 2 ; R 4 and R 5 are independently selected from H, or C 1-6 alkyl or, together with the nitrogen atom to which they are attached, form a 4-8 membered saturated ring; and n is 1-4. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of the pain, fever, inflammation of a variety of conditions and diseases.

  本发明提供了公式（I）1的化合物及其药学上可接受的衍生物，其中：R0是卤素，C1-6烷基，C1-6烷氧基，C1-6烷氧基被一个或多个氟原子取代，或O（CH2）nNR4R5；R1和R2分别选自H，C1-6烷基，C1-6烷基被一个或多个氟原子取代，C1-6烷氧基，C1-6羟基烷基，SC1-6烷基，C（O）H，C（O）C1-6烷基，C1-6烷基磺酰基，C1-6烷氧基被一个或多个氟原子取代，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5，（ ）nSC1-6烷基或C（O）NR4R5；但当R0位于4位且为卤素时，R1和R2中至少有一个为C1-6烷基磺酰基，C1-6烷氧基被一个或多个氟原子取代，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5或（ ）nSC1-6烷基，C（O）NR4R5；R3是C1-6烷基或NH2；R4和R5分别选自H，或C1-6烷基，或与它们所连接的氮原子一起形成一个4-8环饱和环；n为1-4。公式（I）的化合物是COX-2的有效和选择性抑制剂，并可用于治疗各种疾病的疼痛、发热、炎症。
• 2,3-diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase, 2 (COX-2) inhibitors
  申请人：Beswick John Paul

  公开号：US20050113377A1

  公开（公告）日：2005-05-26

  The invention provides a pharmaceutical composition comprising a compound of formula (I) or a pharmaceutically acceptable salt, solvate, ester or salt or solvate of such ester, of a compound of formula (I) in which: R 0 is halogen, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxy substituted by one or more fluorine atoms, or O(CH 2 ) n NR 4 R 5 ; R 1 and R 2 are independently selected from H, C 1-6 alkyl, C 1-6 alkyl substituted by one or more fluorine atoms, C 1-6 alkoxy, C 1-6 hydroxyalkyl, SC 1-6 alkyl, C(O)H, C(O)C 1-6 alkyl, C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2 ) n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 , (CH 2 ) n SC 1-6 alkyl or C(O)NR 4 R 5 ; with the proviso that when R 0 is at the 4-position and is halogen, at least one of R 1 and R 2 is C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2 ) n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 or (CH 2 ) n SC 1-6 alkyl, C(O)NR 4 R 5 ; R 3 is C 1-6 alkyl or NH 2 ; R 4 and R 5 are independently selected from H and C 1-6 alkyl or, together with the nitrogen atom to which they are attached, form a 4-8 membered saturated ring; and n is 1-4; and an inhibitor of the release, or action, of tumour necrosis factor α.

  本发明提供了一种药物组合物，包括式(I)化合物或其药学上可接受的盐、溶剂化物、酯或其盐或酯的溶剂化物，其中：R0是卤素、C1-6烷基、C1-6烷氧基、经一或多个氟原子取代的C1-6烷氧基，或O(CH2)nNR4R5；R1和R2独立地选自H、C1-6烷基、经一或多个氟原子取代的C1-6烷基、C1-6烷氧基、C1-6羟基烷基、SC1-6烷基、C(O)H、C(O)C1-6烷基、C1-6烷基磺酰基、经一或多个氟原子取代的C1-6烷氧基、O( )nCO2C1-6烷基、O( )nSC1-6烷基、( )nNR4R5、( )nSC1-6烷基或C(O)NR4R5；但是，当R0位于4位且为卤素时，R1和R2中至少有一个是C1-6烷基磺酰基、经一或多个氟原子取代的C1-6烷氧基、O( )nCO2C1-6烷基、O( )nSC1-6烷基、( )nNR4R5或( )nSC1-6烷基、C(O)NR4R5；R3是C1-6烷基或NH2；R4和R5独立地选自H和C1-6烷基，或与它们所连接的氮原子一起形成4-8环饱和环；n为1-4；以及肿瘤坏死因子α释放或作用的抑制剂。
• 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibirors
  申请人：——

  公开号：US20030040517A1

  公开（公告）日：2003-02-27

  The invention provides the compounds of formula (I) 1 and pharmaceutically acceptable derivatives thereof in which: R 0 is halogen, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxy substituted by one or more fluorine atoms, or O(CH 2 ) n NR 4 R 5 ; R 1 and R 2 are independently selected from H, C 1-6 alkyl, C 1-6 alkyl substituted by one or more fluorine atoms, C 1-6 alkoxy, C 1-6 hydroxyalkyl, SC 1-6 alkyl, C(O)H, C(O)C 1-6 alkyl, C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2 ) n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 , (CH 2 ) n SC 1-6 alkyl or C(O)NR 4 R 5 ; with the proviso that when R 0 is at the 4-position and is halogen, at least one of R 1 and R 2 is C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2 ) n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 or (CH 2 ) n SC 1-6 alkyl, C(O)NR 4 R 5 ; R 3 is C 1-6 alkyl or NH 2 ; R 4 and R 5 are independently selected from H, or C 1-6 alkyl or, together with the nitrogen atom to which they are attached, form a 4-8 membered saturated ring; and n is 1-4. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of the pain, fever, inflammation of a variety of conditions and diseases.

  本发明提供了式（I）1的化合物及其药学上可接受的衍生物，其中： R0为卤素，C1-6烷基，C1-6烷氧基，C1-6烷氧基被一个或多个氟原子取代，或O（CH2）nNR4R5； R1和R2分别选自H，C1-6烷基，C1-6烷基被一个或多个氟原子取代，C1-6烷氧基，C1-6羟基烷基，SC1-6烷基，C（O）H，C（O）C1-6烷基，C1-6烷基磺酰基，C1-6烷氧基被一个或多个氟原子取代，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5，（ ）nSC1-6烷基或C（O）NR4R5；但当R0位于4位且为卤素时，R1和R2中至少有一个为C1-6烷基磺酰基，C1-6烷氧基被一个或多个氟原子取代，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5或（ ）nSC1-6烷基，C（O）NR4R5； R3为C1-6烷基或NH2； R4和R5分别选自H或C1-6烷基，或与它们所连接的氮原子一起形成4-8个成员的饱和环；以及 n为1-4。 式（I）的化合物是COX-2的有效和选择性抑制剂，并可用于治疗各种疾病和病症的疼痛、发热、炎症。
• 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2(COX-2) inhibitors
  申请人：Smithkline Beecham Corporation

  公开号：US06451794B1

  公开（公告）日：2002-09-17

  The invention provides the compounds of formula (I) and pharmaceutically acceptable derivatives thereof in which: R0 is halogen, C1-6alkyl, C1-6alkoxy, C1-6alkoxy substituted by one or more fluorine atoms, or O(CH2)nNR4R5; R1 and R2 are independently selected from H, C1-6alkyl, C1-6alkyl, substituted by one or more fluorine atoms, C1-6alkoxy, C1-6hydroxyalkyl, SC1-6alkyl, C(O)H, C(O)C1-6alkyl, C1-6alkylsulphonyl, C1-6alkoxy substituted by one or more fluorine atoms, O(CH2)nCO2C1-6alkyl, O(CH2)nSC1-6alkyl, (CH2)nNR4R5, (CH2)nSC1-6alkyl or C(O)NR4R5; with the proviso that when R0 is at the 4-position and is halogen, at least one of R1 and R2 is C1-6alkylsulphonyl, C1-6alkoxy substituted by one or more fluorine atoms, O(CH2)nCO2C1-6alkyl, O(CH2)nSC1-6alkyl, (CH2)nNR4R5 or (CH2)nSC1-6alkyl, C(O)NR4R5; R3 is C1-6alkyl or NH2; R4 and R5 are independently selected from H, or C1-6alkyl or, together with the nitrogen atom to which they are attached, form a 4-8 membered saturated ring; and n is 1-4. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of the pain, fever, inflammation of a variety of conditions and diseases.

  本发明提供了公式（I）及其药学上可接受的衍生物，其中：R0是卤素，C1-6烷基，C1-6烷氧基，C1-6烷氧基取代一个或多个氟原子，或O（CH2）nNR4R5; R1和R2独立选择自H，C1-6烷基，C1-6烷基，取代一个或多个氟原子，C1-6烷氧基，C1-6羟基烷基，SC1-6烷基，C（O）H，C（O）C1-6烷基，C1-6烷基磺酰基，C1-6烷氧基取代一个或多个氟原子，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5，（ ）nSC1-6烷基或C（O）NR4R5; 前提是当R0位于4位且为卤素时，R1和R2中至少有一个是C1-6烷基磺酰基，C1-6烷氧基取代一个或多个氟原子，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5或（ ）nSC1-6烷基，C（O）NR4R5; R3是C1-6烷基或NH2; R4和R5独立选择自H或C1-6烷基，或与它们所连接的氮原子一起形成4-8个成员的饱和环; n为1-4。公式（I）的化合物是COX-2的有效和选择性抑制剂，并可用于治疗各种疾病和病症的疼痛，发热，炎症。
• 2,3-diaryl-pyrazolo[1,5-B]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors
  申请人：SmithKline Beecham Corporation

  公开号：US06831097B2

  公开（公告）日：2004-12-14

  The invention provides the compounds of formula (I) and pharmaceutically acceptable derivatives thereof in which: R0 is halogen, C1-6alkyl, C1-6alkoxy, C1-6alkoxy substituted by one or more fluorine atoms, or O(CH2)nNR4R5; R1 and R2 are independently selected from H, C1-6alkyl, C1-6alkyl substituted by one or more fluorine atoms, C1-6alkoxy, C1-6hydroxyalkyl, SC1-6alkyl, C(O)H, C(O)C1-6alkyl, C1-6alkylsulphonyl, C1-6alkoxy substituted by one or more fluorine atoms, O(CH2)nCO2C1-6alkyl, O(CH2)nSC1-6alkyl, (CH2)nNR4R5, (CH2)nSC1-6alkyl or C(O)NR4R5; with the proviso that when R0 is at the 4-position and is halogen, at least one of R1 and R2 is C1-6alkylsulphonyl, C1-6alkoxy substituted by one or more fluorine atoms, O(CH2)nCO2C1-6alkyl, O(CH2)nSC1-6alkyl, (CH2)nNR4R5 or (CH2)nSC1-6alkyl, C(O)NR4R5; R3 is C1-6alkyl or NH2; R4 and R5 are independently selected from H, or C1-6alkyl or, together with the nitrogen atom to which they are attached, form a 4-8 membered saturated ring; and n is 1-4. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of the pain, fever, inflammation of a variety of conditions and diseases.

  本发明提供公式（I）的化合物及其药学上可接受的衍生物，其中：R0为卤素，C1-6烷基，C1-6烷氧基，被一个或多个氟原子取代的C1-6烷氧基，或O（CH2）nNR4R5；R1和R2分别选自H，C1-6烷基，被一个或多个氟原子取代的C1-6烷基，C1-6烷氧基，C1-6羟基烷基，SC1-6烷基，C（O）H，C（O）C1-6烷基，C1-6烷基磺酰基，被一个或多个氟原子取代的C1-6烷氧基，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5，（ ）nSC1-6烷基或C（O）NR4R5；但当R0在4位且为卤素时，R1和R2中至少有一个为C1-6烷基磺酰基，被一个或多个氟原子取代的C1-6烷氧基，O（ ）nCO2C1-6烷基，O（ ）nSC1-6烷基，（ ）nNR4R5或（ ）nSC1-6烷基，C（O）NR4R5；R3为C1-6烷基或NH2；R4和R5分别选自H或C1-6烷基，或与它们所连接的氮原子一起形成4-8环饱和环；n为1-4。公式（I）的化合物是COX-2的有效和选择性抑制剂，并可用于治疗各种疾病的疼痛、发热和炎症。