3-(1-哌嗪)-1H-吲哚 | 149669-53-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-(1-哌嗪)-1H-吲哚
• 中文别名: 3-(哌嗪-1-基)-1H-吲哚
• 英文名称: 3-(Piperazin-1-YL)-1H-indole
• 英文别名: 3-piperazin-1-yl-1H-indole
• CAS: 149669-53-4
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: VASVHOLFOSSBKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  31.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  哌嗪 、 3-氯-1H-吲哚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 3-(1-哌嗪)-1H-吲哚
  参考文献：
  名称：

  Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor

  摘要：

  G-protein coupled receptors (GPCRs) are the primary target class of currently marketed drugs, accounting for about a quarter of all drug targets of approved medicines. However, almost all the screening efforts for novel ligand discovery rely exclusively on cellular systems overexpressing the receptors. An alternative ligand discovery strategy is a fragment-based drug discovery, where low molecular weight compounds, known as fragments, are screened as initial starting points for optimization. However, the screening of fragment libraries usually employs biophysical screening methods, and as such, it has not been routinely applied to membrane proteins. We present here a surface plasmon resonance biosensor approach that enables, cell-free, label-free, fragment screening that directly measures fragment interactions with wild-type GPCRs. We exemplify the method by the discovery of novel, selective, high affinity antagonists of human beta 2 adrenoceptor.

  DOI：

  10.1021/ml400312j

文献信息

• [EN] CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS<br/>[FR] DÉRIVÉS DE CHROMONE, LEUR PROCÉDÉ DE PRÉPARATION ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：PF MEDICAMENT

  公开号：WO2011027289A1

  公开（公告）日：2011-03-10

  The present invention relates to chromone derivatives, their preparation, their pharmaceutical compositions and their application as D3 dopaminergic ligands as a medicament for disorders of the central nervous system.

  本发明涉及香豆素衍生物，它们的制备、药物组合物以及它们作为D3多巴胺能受体配体在中枢神经系统疾病的药物应用。
• CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS
  申请人：Sokoloff Pierre

  公开号：US20120157463A1

  公开（公告）日：2012-06-21

  The present invention relates to chromone derivatives, their preparation, their pharmaceutical compositions and their application as D3 dopaminergic ligands as a medicament for disorders of the central nervous system.

  本发明涉及香豆素衍生物，其制备方法，其制药组合物以及作为D3多巴胺受体配体在中枢神经系统疾病的药物应用。
• Antipsychotic 3-piperazinyl-benzazole derivatives
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0353821A3

  公开（公告）日：1991-07-17

  Novel 3-piperazinyl-1,2-benzazoles of formula wherein Q is a radical of formula R is hydrogen or C₁₋₆alkyl; R¹ and R² are hydrogen, halo, hydroxy, C₁₋₆alkyloxy or C₁₋₆alkyl; X is O, S or NR³; the pharmaceutically acceptable acid addition salts and possible stereochemically isomeric forms thereof, which compounds are antipsychotic agents; pharmaceutical compositions containing such compounds as an active ingredient and methods of preparing said compounds and pharmaceutical compositions.

  式中的新型 3-哌嗪基-1,2-苯并唑 其中 Q 是式中的基 R 是氢或 C₁₋₆ 烷基； R¹ 和 R² 是氢、卤素、羟基、C₁₋₆烷氧基或 C₁₋₆ 烷基； X 是 O、S 或 NR³； 药学上可接受的酸加成盐及其可能的立体化学异构形式，这些化合物是抗精神病药物；含有这些化合物作为活性成分的药物组合物以及制备所述化合物和药物组合物的方法。
• 4-Indolylpiperazinyl derivates
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0737677A1

  公开（公告）日：1996-10-16

  This invention provides anxiolytic/antidepressant agents of the formula: in which R1 is alkyl; R2 and R3 are alkyl or taken together they are polymethylene; R4 is hydrogen or alkyl; R5 is phenyl, benzyl, substituted phenyl, or substituted benzyl in which the substituents are hydroxy, halo, alkoxy , trifluoromethyl, nitro, cyano, alkoxycarbonyl, amino or dialkylamino; or a pharmaceutically acceptable salt thereof.

  本发明提供了式中的抗焦虑/抗抑郁剂： 其中 R1是烷基 R2和R3是烷基或合在一起是聚亚甲基 R4是氢或烷基 R5 是苯基、苄基、取代苯基或取代苄基，其中取代基是羟基、卤代、烷氧基、三氟甲基、硝基、氰基、烷氧羰基、氨基或二烷基氨基； 或其药学上可接受的盐。
• 4-Indolylpiperazinyl derivatives
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0737678A1

  公开（公告）日：1996-10-16

  This invention provides anxiolytic/antidepressant agents of the formula: in which R1 is alkyl of 1 to 6 carbon atoms, cycloalkyl of 5 to 7 carbon atoms, aryl of 6 to 10 carbon atoms or arylalkyl of 7 to 12 carbon atoms; R2 is hydrogen or alkyl of 1 to 6 carbon atoms; R3 is phenyl, benzyl, substituted phenyl, or substituted benzyl in which the substituents are hydroxy, halo, alkoxy of 1 to 6 carbon atoms, trifluoromethyl, nitro, cyano, alkoxycarbonyl of 2 to 7 carbon atoms, amino or dialkylamino in which each alkyl group contains 1 to 6 carbon atoms; or a pharmaceutically acceptable salt thereof.

  本发明提供了式中的抗焦虑/抗抑郁剂： 其中 R1是1至6个碳原子的烷基、5至7个碳原子的环烷基、6至10个碳原子的芳基或7至12个碳原子的芳烷基； R2 是氢或 1 至 6 个碳原子的烷基； R3 是苯基、苄基、取代苯基或取代苄基，其中取代基为羟基、卤代、1 至 6 个碳原子的烷氧基、三氟甲基、硝基、氰基、2 至 7 个碳原子的烷氧羰基、氨基或二烷基氨基，其中每个烷基含有 1 至 6 个碳原子； 或其药学上可接受的盐。