6-(piperazin-1-yl)-2-methyl-2H-pyridazin-3-one | 919792-63-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-(piperazin-1-yl)-2-methyl-2H-pyridazin-3-one
• 英文别名: 2-methyl-6-piperazin-1-yl-2H-pyridazin-3-one；2-methyl-6-piperazin-1-ylpyridazin-3-one
• CAS: 919792-63-5
• 化学式: C₉H₁₄N₄O
• 分子量: 194.236
• InChiKey: YDFIMWVSHLAIQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(piperazin-1-yl)-2-methyl-2H-pyridazin-3-one 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 6-(piperazin-1-yl)-2-methyl-2H-pyridazin-3-one hydrochloride
  参考文献：
  名称：

  WO2007/8143

  摘要：

  公开号：
• 作为产物：
  描述：

  哌嗪 、 6-氯-2-甲基吡嗪-3(2H)-酮 在 吡啶 作用下， 以 乙醇 、 水 为溶剂， 反应 15.0h， 生成 6-(piperazin-1-yl)-2-methyl-2H-pyridazin-3-one
  参考文献：
  名称：

  WO2007/8143

  摘要：

  公开号：

文献信息

• Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa
  申请人：Alstermark Christer

  公开号：US20080214495A1

  公开（公告）日：2008-09-04

  The invention relates to compounds of formula (I), wherein R 1 and R 3 are independently selected from carbon and nitrogen; R 2 is oxo or thioxo; n is 0, 1 or 2; each R 10 is independently selected from hydrogen and C 1-3 alkyl; R 4 and R 5 are each selected from carbon and nitrogen, wherein at least one of R 4 and R 5 is nitrogen; R 6 is hydrogen or oxo; R 7 is an aliphatic, partially saturated or aromatic carbocyclic ring, said carbocyclic ring having 0, 1 or 2 hetero nitrogen; m is 0, 1 or 2; each R 11 is independently selected from hydrogen, hydroxy, oxo, C 1-5 alkyl, carboxy, hydroxyC 1-5 alkyl, carboxyC 1-5 alkyl, C 1-5 alkoxy-oxoC 1-5 alkyl, carbamoyl, C 1-5 alkylcarbamoyl, di (C 1-5 alkyl)carbamoyl, carbamoylC 1-4 alkyl,C 1-5 alkylcarbamoylC 1-4 alkyl, di(C 1-5 alkyl)carbamoylC 1-4 alkyl, hydroxyC 1-5 alkylcarbamoyl, C 1-5 alkoxyC 1-5 alkylcarbamoyl, hydroxyC 1-5 alkylcarbamoylC 1-4 alkyl, C 1-5 alkoxyC 1-5 alkylcarbamoylC 1-4 alkyl, CONR 80 (CH 2 ) x S(O) p R90, CONH(CH 2 ) q NR 100 R 100 , —C 1-5 alkyl-Y 1 , —COOCHR 170 R 180 and —CON R 170 R 180 ; R 8 is a bond, C 1-4 alkylene or C 2-6 alkenylene; R 9 is an aromatic ring system having 0, 1 or 2 hetero atoms; wherein R 9 is substituted by 0 or 1 halogen; or a pharmaceutically acceptable salt thereof, said compounds possess antithrombotic and anticoagulant properties and are accordingly useful in methods of treatment of humans or animals. The invention also relates to processes for the preparation of the compounds, to their use, to pharmaceutical compositions comprising them, to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect, and to combinations comprising them.

  本发明涉及式(I)的化合物，其中R1和R3独立选择自碳和氮；R2为氧或硫氧；n为0、1或2；每个R10独立选择自氢和C1-3烷基；R4和R5各自选择自碳和氮，其中至少一个是氮；R6为氢或氧；R7为脂肪族、部分饱和或芳香碳环，所述碳环具有0、1或2个杂原子氮；m为0、1或2；每个R11独立选择自氢、羟基、氧、C1-5烷基、羧基、羟基C1-5烷基、羧基C1-5烷基、C1-5烷氧基-氧代C1-5烷基、氨基、C1-5烷基氨基、二(C1-5烷基)氨基、氨基C1-4烷基、C1-5烷基氨基C1-4烷基、二(C1-5烷基)氨基C1-4烷基、羟基C1-5烷基氨基、C1-5烷氧基C1-5烷基氨基、羟基C1-5烷基氨基C1-4烷基、C1-5烷氧基C1-5烷基氨基C1-4烷基、CONR80(CH2)xS(O)pR90、CONH(CH2)qNR100R100、-C1-5烷基-Y1、-COOCHR170R180和-CON R170R180；R8为键、C1-4烷基或C2-6烯基；R9为具有0、1或2个杂原子的芳香环系；其中R9由0或1个卤素取代；或其药学上可接受的盐，所述化合物具有抗血栓和抗凝作用，因此在人类或动物的治疗方法中有用。本发明还涉及制备该化合物的方法、它们的用途、包含它们的制药组合物、用于制造用于产生抗血栓或抗凝效应的药物的制剂的用途以及包含它们的组合物。
• 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials
  申请人：VETOQUINOL S.A.

  公开号：EP2145891A1

  公开（公告）日：2010-01-20

  A subject of the invention is the compounds of formula (I): wherein R1, R2, R3, R'3, R4, R'4, R5, R6 and R7 are as described in the application, in the form of enantiomers or mixtures, as well as their salts with acids and bases, their preparation and their application as anti-bacterials, in both human and veterinary medicine.

  本发明的一个主题是式（I）化合物： 其中 R1、R2、R3、R'3、R4、R'4、R5、R6 和 R7 如本申请所述、 以对映体或混合物的形式存在，以及它们与酸和碱的盐类、它们的制备和它们作为抗菌剂在人类和兽医中的应用。
• Discovery of novel non-peptidic β-alanine piperazine amide derivatives and their optimization to achiral, easily accessible, potent and selective somatostatin sst1 receptor antagonists
  作者：Thomas Troxler、Konstanze Hurth、Henri Mattes、Mahavir Prashad、Philippe Schoeffter、Daniel Langenegger、Albert Enz、Daniel Hoyer

  DOI：10.1016/j.bmcl.2009.01.072

  日期：2009.3

  Structural simplification of the core moieties of obeline and ergoline somatostatin sst(1) receptor antagonists, followed by systematic optimization, led to the identification of novel, highly potent and selective sst(1) receptor antagonists. These achiral, non-peptidic compounds are easily prepared and show promising PK properties in rodents. (C) 2009 Elsevier Ltd. All rights reserved.
• [EN] HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA<br/>[FR] DÉRIVÉS DE SULFONAMIDES HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DU FACTEUR XA
  申请人：ASTRAZENECA AB

  公开号：WO2007008143A1

  公开（公告）日：2007-01-18

  [EN] The invention relates to compounds of formula (I), wherein R¹ and R³ are independently selected from carbon and nitrogen; R² is oxo or thioxo; n is 0, 1 or 2; each R¹⁰ is independently selected from hydrogen and C₁-₃alkyl; R⁴ and R⁵ are each selected from carbon and nitrogen, wherein at least one of R⁴ and R⁵ is nitrogen; R⁶ is hydrogen or oxo; R⁷ is an aliphatic, partially saturated or aromatic carbocyclic ring, said carbocyclic ring having 0, 1 or 2 hetero nitrogen; m is 0, 1 or 2; each R¹¹ is independently selected from hydrogen, hydroxy, oxo, C_1-5alkyl, carboxy, hydroxyC_1-5alkyl, carboxyC_1-5alkyl, C_1-5alkoxyoxoC_1-5alkyl, carbamoyl, C_1-5alkylcarbamoyl, di (C_1-5 alkyl)carbamoyl, carbamoylC_1-4alkyl,C_1-5alkylcarbamoylC_1-4alkyl, di(C_1-5 alkyl)carbamoylC_1-4alkyl, hydroxyC_1-5alkylcarbamoyl, C_1-5 alkoxyC_1-5alkylcarbamoyl, hydroxyC_1-5alkylcarbamoylC_1-4alkyl, C_1-5alkoxyC_1-5 alkylcarbamoylC_1-4 alkyl, CONR⁸⁰(CH₂)_xS(O)_pR90, CONH(CH₂)_qNR¹⁰⁰R¹⁰⁰, -C_1-5 alkyl-Y¹ , -COOCHR¹⁷⁰R¹⁸⁰ and -CON R¹⁷⁰ R¹⁸⁰ ; R⁸ is a bond, C_1-4alkylene or C_2-6alkenylene; R⁹ is an aromatic ring system having 0, 1 or 2 hetero atoms; wherein R⁹ is substituted by 0 or 1 halogen; or a pharmaceutically acceptable salt thereof, said compounds possess antithrombotic and anticoagulant properties and are accordingly useful in methods of treatment of humans or animals. The invention also relates to processes for the preparation of the compounds, to their use, to pharmaceutical compositions comprising them, to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect, and to combinations comprising them.
  [FR] L'invention concerne des composés de formule (I), où R¹ et R³ sont indépendamment sélectionnés entre un carbone et un azote ; R² est un oxo ou un thioxo ; n est 0, 1 ou 2 ; chaque R¹⁰ est indépendamment sélectionné entre un hydrogène et un alkyle en C_1-3 ; R⁴ et R⁵ sont chacun sélectionnés entre un carbone et un azote, au moins l'un de R⁴ et de R⁵ étant un azote ; R⁶ est un hydrogène ou un oxo ; R⁷ est un cycle carbocyclique aliphatique, partiellement saturé ou aromatique, ledit cycle carbocyclique ayant 0, 1 ou 2 hétéroatomes d'azote ; m est 0, 1 ou 2 ; chaque R¹¹ est indépendamment sélectionné entre un hydrogène, un hydroxy, un oxo, un alkyle en C_1-5, un carboxy, un hydroxy(alkyle en C_1-5), un carboxy(alkyle en C_1-5), un (alcoxy en C_1-5)oxo(alkyle en C_1-5), un carbamoyle, un (alkyl en C_1-5)carbamoyle, un di(alkyl en C_1-5)carbamoyle, un carbamoyl(alkyle en C_1-4), un (alkyl en C_1-5)carbamoyl(alkyle en C_1-4), un di(alkyl en C_1-5)carbamoyl(alkyle en C_1-4), un hydroxy(alkyl en C_1-5)carbamoyle, un (alcoxy en C_1-5)(alkyl en C_1-5)carbamoyle, un hydroxy(alkyl en C_1-5)carbamoyl(alkyle en C_1-4), un (alcoxy en C_1-5)(alkyl en C_1-5)carbamoyl(alkyle en C_1-4), un groupe CONR⁸⁰(CH₂)_xS(O)_pR⁹⁰, CONH(CH₂)_qNR¹⁰⁰R¹⁰⁰, -(alkyl en C_1-5 )-Y¹ , -COOCHR¹⁷⁰R¹⁸⁰ et -CONR¹⁷⁰R¹⁸⁰ ; R⁸ est une liaison, un alkylène en C_1-4 ou un alcénylène en C_2-6 ; R⁹ est un système cyclique aromatique ayant 0, 1 ou 2 hétéroatomes, R⁹ étant substitué par 0 ou 1 halogène ; ou un sel acceptable du point de vue pharmaceutique de ceux-ci, lesdits composés possédant des propriétés antithrombotiques et anticoagulantes et étant par conséquent utiles dans des procédés de traitement d'êtres humains ou d'animaux. L'invention concerne également des procédés pour la préparation des composés, leur utilisation, des compositions pharmaceutiques les comprenant, leur utilisation dans la fabrication de médicaments destinés à être utilisés dans la production d'un effet antithrombotique ou anticoagulant et des combinaisons les comprenant.
• [EN] 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS<br/>[FR] DÉRIVÉS ?-CARBOXY-OXADIAZINO-QUINOLONES SUBSTITUÉES EN POSITION 9, LEUR PRÉPARATION ET LEUR APPLICATION EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：VETOQUINOL SA

  公开号：WO2010004394A1

  公开（公告）日：2010-01-14

  A subject of the invention is the compounds of formula (I) wherein R1, R2, R3, R'3, R4, R'4, R5, R6 and R7 are as described in the application, in the form of enantiomers or mixtures, as well as their salts with acids and bases, their preparation and their application as anti-bacterials, in both human and veterinary medicine.