1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide | 897925-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
• 英文别名: 1-(2,4-Dichloro-phenyl)-5-[4-(3-hydroxy-prop-1-ynyl)-phenyl]-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide；1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
• CAS: 897925-05-2
• 化学式: C₂₅H₂₄Cl₂N₄O₂
• 分子量: 483.397
• InChiKey: AAYCAVFUPFBRBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  70.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide 在 palladium on activated carbon 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以76%的产率得到1-(2,4-dichlorophenyl)-5-[4-(3-hydroxypropyl)phenyl]-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
  参考文献：
  名称：

  WO2006/74445

  摘要：

  公开号：
• 作为产物：
  描述：

  2-丙炔-1-醇 在 四(三苯基膦)钯 四氢吡咯 作用下， 反应 10.08h， 以74%的产率得到1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
  参考文献：
  名称：

  WO2006/74445

  摘要：

  公开号：

文献信息

• NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS
  申请人：Makriyannis Alexandros

  公开号：US20100063050A1

  公开（公告）日：2010-03-11

  Disclosed are biologically active hetero pyrrole analogs such as imidazoles, thiazoles, oxazoles and pyrazoles capable of interacting with the CB1 and/or the CB2 cannabinoid receptors. One aspect discloses hetero pyrrole analogs acting as antagonists for the CB1 and/or the CB2 receptors. Another aspect discloses hetero pyrrole analogs having selectivity for the CB1 or CB2 cannabinoid receptor. Also disclosed are pharmaceutical preparations employing the disclosed analogs and methods of administering therapeutically effective amounts of the disclosed analogs to provide a physiological effect.

  本发明涉及一种具有生物活性的异杂环吡咯类似物，如咪唑、噻唑、噁唑和吡唑，能够与CB1和/或CB2大麻素受体相互作用。其中一方面揭示了异杂环吡咯类似物作为CB1和/或CB2受体的拮抗剂。另一方面揭示了异杂环吡咯类似物具有选择性作用于CB1或CB2大麻素受体。还揭示了利用所述类似物的制药制剂和治疗有效量的方法，以提供生理效应。
• Heteropyrrole analogs acting on cannabinoid receptors
  申请人：University of Connecticut

  公开号：US08084451B2

  公开（公告）日：2011-12-27

  Disclosed are biologically active hetero pyrrole analogs such as imidazoles, thiazoles, oxazoles and pyrazoles capable of interacting with the CB1 and/or the CB2 cannabinoid receptors. One aspect discloses hetero pyrrole analogs acting as antagonists for the CB1 and/or the CB2 receptors. Another aspect discloses hetero pyrrole analogs having selectivity for the CB1 or CB2 cannabinoid receptor. Also disclosed are pharmaceutical preparations employing the disclosed analogs and methods of administering therapeutically effective amounts of the disclosed analogs to provide a physiological effect.

  本发明涉及生物活性的杂环吡咯类似物，如咪唑、噻唑、噁唑和吡唑，能够与CB1和/或CB2大麻素受体相互作用。其中一方面揭示了杂环吡咯类似物作为CB1和/或CB2受体的拮抗剂。另一方面揭示了具有对CB1或CB2大麻素受体选择性的杂环吡咯类似物。还揭示了使用所述类似物的制药制剂和将所述类似物在治疗上有效量下给予以提供生理效应的方法。
• Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors
  申请人：Makriyannis Alexandros

  公开号：US20120095047A1

  公开（公告）日：2012-04-19

  Disclosed are biologically active hetero pyrrole analogs such as imidazoles, thiazoles, oxazoles and pyrazoles capable of interacting with the CB1 and/or the CB2 cannabinoid receptors. One aspect discloses hetero pyrrole analogs acting as antagonists for the CB1 and/or the CB2 receptors. Another aspect discloses hetero pyrrole analogs having selectivity for the CB1 or CB2 cannabinoid receptor. Also disclosed are pharmaceutical preparations employing the disclosed analogs and methods of administering therapeutically effective amounts of the disclosed analogs to provide a physiological effect.

  本发明涉及一种生物活性的杂环吡咯类似物，例如咪唑、噻唑、噁唑和吡唑，能够与CB1和/或CB2大麻素受体相互作用。其中一方面揭示了作为CB1和/或CB2受体拮抗剂的杂环吡咯类似物。另一方面揭示了具有CB1或CB2大麻素受体选择性的杂环吡咯类似物。还揭示了使用所述类似物的制药制剂以及给予治疗有效量的所述类似物以提供生理效应的方法。
• Heteropyrazole analogs acting on cannabinoid receptors
  申请人：University of Connecticut

  公开号：EP2368881A1

  公开（公告）日：2011-09-28

  Pyrazole analogues of formula wherein R1, R2, R3, R4, A and B are as defined in the specification, are disclosed. Such compounds are antagonists for the CB1 and/or CB2 cannabinoid receptors. Also disclosed are pharmaceutical preparations containing such compounds, and the compounds for use in treating various disorders.

  式中的吡唑类似物 其中 R1、R2、R3、R4、A 和 B 如说明书中所定义。这类化合物是 CB1 和/或 CB2 大麻受体的拮抗剂。还公开了含有此类化合物的药物制剂，以及用于治疗各种疾病的化合物。
• US8084451B2
  申请人：——

  公开号：US8084451B2

  公开（公告）日：2011-12-27