4-(1-甲基-6-氧代-1,6-二氢吡嗪-3-基)苯甲酸 | 860013-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-(1-甲基-6-氧代-1,6-二氢吡嗪-3-基)苯甲酸
• 英文名称: 4-(1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-benzoic acid
• 英文别名: 4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)benzoic acid；4-(1-methyl-6-oxopyridazin-3-yl)benzoic acid
• CAS: 860013-31-6
• 化学式: C₁₂H₁₀N₂O₃
• 分子量: 230.223
• InChiKey: DQYJUVSSLABJJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  415.4±47.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(1-甲基-6-氧代-1,6-二氢吡嗪-3-基)苯甲酸 在 磺酰氯 作用下， 反应 1.0h， 生成
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS
  [FR] DÉRIVÉS PYRIDAZINONE SUBSTITUÉS COMME LIGANDS DES RÉCEPTEURS DE L'HISTAMINE-3 (H3)

  摘要：

  公开号：

  WO2009142732A3
• 作为产物：
  描述：

  4-乙酰基苯甲酸 以 溶剂黄146 为溶剂， 反应 25.0h， 生成 4-(1-甲基-6-氧代-1,6-二氢吡嗪-3-基)苯甲酸
  参考文献：
  名称：

  Amine-constrained pyridazinone histamine H3 receptor antagonists

  摘要：

  Pyridazinone 1 was recently reported as a potent H3R antagonist with good drug-like properties and in vivo activity. A series of constrained amine analogs of 1 was synthesized to identify compounds with improved pharmacokinetic profiles. From these efforts, a new class of (S)-2-pyrrolidin-1-ylmethyl-1-pyrrolidinyl amides was identified. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.094

文献信息

• [EN] NEW DERIVATIVES OF 6-4{4-[1H-INDOLE-2-SULPHONYL)-PIPERAZIN-1-CARBONYL-PHENYL]}PYRADIZIN-3-ONE<br/>[FR] NOUVEAU DERIVES DE 6-4{4-[1H-INDOLE-2-SULPHONYL)-PIPERAZIN-1-CARBONYL-PHENYL]}PYRADIZIN-3-ONE
  申请人：ASTRAZENECA AB

  公开号：WO2005065688A1

  公开（公告）日：2005-07-21

  The invention relates to heterocyclic derivatives of formula (I), wherein R2 is amino, a group OR4 or a group -Y-R5 where R4 is hydrogen or C1-4alkyl, Y is C1-4alkylene, R5 is hydrogen, halo, hydroxy, C1-2alkoxy, C1-2alkoxyC1-2alkoxyC1-4, or a group NR7R8 where R7 and R8 are independently selected from hydrogen, C1-2alkyl, hydroxyC1-2alkyl or alkoxyC1-2alkyl, or R7 and R8 together with the nitrogen atom to which they are attached form a saturated 5-6-membered heterocyclic ring which optionally contains an additional heteroatom; n is one or two and each R1 is independently selected from halo, haloC1-2alkyl, hydroxy, oxo, amino, C1-2alkylamino or di-C1-2dialkylamino; or a pharmaceutically acceptable salt thereof. These 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 heterocyclic derivatives, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect.

  该发明涉及公式（I）的杂环衍生物，其中R2是氨基，羟基OR4基团或-Y-R5基团，其中R4是氢或C1-4烷基，Y是C1-4烷基烯，R5是氢，卤素，羟基，C1-2烷氧基，C1-2烷氧基C1-2烷氧基C1-4，或NR7R8基团，其中R7和R8分别选自氢，C1-2烷基，羟基C1-2烷基或烷氧基C1-2烷基，或R7和R8与它们连接的氮原子一起形成饱和的5-6成员杂环环，该环可选择性地包含额外的杂原子；n为一或二，每个R1独立选择自卤素，卤素C1-2烷基，羟基，羟基，氨基，C1-2烷基氨基或二C1-2二烷基氨基；或其药学上可接受的盐。这些化合物具有抗血栓和抗凝作用，因此在人类或动物治疗方法中有用。该发明还涉及制备这些杂环衍生物的方法，含有它们的药物组成物以及它们在制造用于产生抗血栓或抗凝作用的药物的制剂中的使用。
• New derivatives of 6-{4-[4-(1h-indole-2-sulphonyl)-piperazin-1-carbonyl-phenyl]}pyradizin-3-one
  申请人：Bratt Emma

  公开号：US20070135441A1

  公开（公告）日：2007-06-14

  The invention relates to heterocyclic derivatives of formula (I), wherein R 2 is amino, a group OR 4 or a group —Y—R 5 where R 4 is hydrogen or C 1-4 alkyl, Y is C 1-4 alkylene, R 5 is hydrogen, halo, hydroxy, C 1-2 alkoxy, C 1-2 alkoxyC 1-2 alkoxyC 1-4 , or a group NR 7 R 8 where R 7 and R 8 are independently selected from hydrogen, C 1-2 alkyl, hydroxyC 1-2 alkyl or alkoxyC 1-2 alkyl, or R 7 and R 8 together with the nitrogen atom to which they are attached form a saturated 5-6-membered heterocyclic ring which optionally contains an additional heteroatom; n is one or two and each R 1 is independently selected from halo, haloC 1-2 alkyl, hydroxy, oxo, amino C 1-2 alkylamino or di-C 1-2 dialkylamino; or a pharmaceutically acceptable salt thereof. These 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 heterocyclic derivatives, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect.

  本发明涉及式(I)的杂环衍生物，其中R2是氨基，OR4基团或-Y-R5基团，其中R4是氢或C1-4烷基，Y是C1-4亚烷基，R5是氢，卤素，羟基，C1-2烷氧基，C1-2烷氧基C1-2烷氧基C1-4，或NR7R8基团，其中R7和R8各自选自氢，C1-2烷基，羟基C1-2烷基或烷氧基C1-2烷基，或R7和R8与它们所连接的氮原子一起形成一个饱和的5-6元杂环环，其中可以含有一个额外的杂原子；n是1或2，每个R1独立地选自卤素，卤素C1-2烷基，羟基，氧代，氨基C1-2烷基氨基或二C1-2二烷基氨基；或其药学上可接受的盐。这些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。本发明还涉及制备这些杂环衍生物的方法，含有它们的药物组合物以及它们在制造用于产生抗血栓或抗凝效果的药物的制剂中的使用。
• Derivatives of 6-{4-[4-(1H-indole-2-sulphonyl)-piperazin-1-carbonyl-phenyl]}pyradizin-3-one
  申请人：AstraZeneca AB

  公开号：US07419979B2

  公开（公告）日：2008-09-02

  The invention relates to heterocyclic derivatives of formula (I), wherein R2 is amino, a group OR4 or a group —Y—R5 where R4 is hydrogen or C1-4alkyl, Y is C1-4alkylene, R5 is hydrogen, halo, hydroxy, C1-2alkoxy, C1-2alkoxyC1-2alkoxyC1-4, or a group NR7R8 where R7 and R8 are independently selected from hydrogen, C1-2alkyl, hydroxyC1-2alkyl or alkoxyC1-2alkyl, or R7 and R8 together with the nitrogen atom to which they are attached form a saturated 5-6-membered heterocyclic ring which optionally contains an additional heteroatom; n is one or two and each R1 is independently selected from halo, haloC1-2alkyl, hydroxy, oxo, amino, C1-2alkylamino or di-C1-2dialkylamino; or a pharmaceutically acceptable salt thereof. These 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 heterocyclic derivatives, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect.

  本发明涉及式(I)的杂环衍生物，其中R2是氨基，OR4基团或-Y-R5基团，其中R4是氢或C1-4烷基，Y是C1-4烷基，R5是氢，卤素，羟基，C1-2烷氧基，C1-2烷氧基C1-2烷氧基C1-4，或NR7R8基团，其中R7和R8独立地选自氢，C1-2烷基，羟基C1-2烷基或烷氧基C1-2烷基，或R7和R8与它们所连接的氮原子一起形成饱和的5-6元杂环环，该环可以选择性地含有一个额外的杂原子；n为一或二，每个R1独立地选自卤素，卤素C1-2烷基，羟基，羰基，氨基，C1-2烷基氨基或二C1-2二烷基氨基；或其药学上可接受的盐。这些化合物具有抗血栓和抗凝血特性，因此可用于人类或动物的治疗方法。本发明还涉及制备杂环衍生物的方法，包含它们的制药组合物以及它们在制造具有抗血栓或抗凝血作用的药物的生产中的使用。
• Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands
  申请人：Becknell Nadine C.

  公开号：US20110098269A1

  公开（公告）日：2011-04-28

  The present invention provides compounds according to Formulas I, II, III, IV, V, VI, VII or VIII: their use as H 3 antagonists/inverse agonists, processes for their preparation, and pharmaceutical compositions thereof.

  本发明提供了公式I、II、III、IV、V、VI、VII或VIII的化合物：它们作为H3拮抗剂/逆激动剂的用途、它们的制备方法以及它们的药物组成物。
• NEW DERIVATIVES OF 6- 4 4 - 1 H - INDOLE-2-SULPHONYL)-PIPERA ZIN-1-CARBONYL-PHENYL PYRADIZIN-3-ONE
  申请人：AstraZeneca AB

  公开号：EP1706120A1

  公开（公告）日：2006-10-04