4-(4-benzyl-piperazin-1-yl)-1H-indole | 218933-36-9

• 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: 4-(4-benzyl-piperazin-1-yl)-1H-indole
• 英文别名: 4-(4-benzylpiperazin-1-yl)-1H-indole
• CAS: 218933-36-9
• 化学式: C₁₉H₂₁N₃
• 分子量: 291.396
• InChiKey: JLZIBIQTDGMAFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  480.662±40.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.197±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  22.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-benzyl-piperazin-1-yl)-1H-indole 在 N-溴代丁二酰亚胺(NBS) 、 磷酸 作用下， 以 乙二醇甲醚 为溶剂， 生成 4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-one
  参考文献：
  名称：

  New generation dopaminergic agents. 5. heterocyclic bioisosteres that exploit the 3-OH-N1-phenylpiperazine dopaminergic template

  摘要：

  The synthesis of several bioisosteric analogs based on the 3-OH-N'-phenylpiperazine dopamine D-2 agonist template (i.e., 4) is described. The indolone (5) and 2-CF3-benzimidazole (13) were observed to have: excellent affinity for the D-2 receptor. Several Dq selective compounds were also identified. Molecular modeling studies and a putative bioactive conformation are discussed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00474-0
• 作为产物：
  描述：

  1-triisopropylsilanyl-4-(4-benzyl-piperazin-1-yl)-1H-indole 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 4-(4-benzyl-piperazin-1-yl)-1H-indole
  参考文献：
  名称：

  4-piperazinylindole derivatives with 5-HT6 receptor affinity

  摘要：

  这项发明涉及一类通常具有5-HT6受体亲和力的化合物，其由以下式I表示： 其中R3为SO2—Ar，Ar为芳基或杂环芳基；R1、R2、R4和R5如本文所定义；或其各个异构体、外消旋或非外消旋异构体混合物，或其药用可接受盐或溶剂化合物。该发明还涉及含有这类化合物的药物组合物，以及它们作为治疗剂的使用方法和其制备方法。

  公开号：

  US20030045527A1

文献信息

• 5HT7 receptor ligands and compositions comprising the same
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2149373A1

  公开（公告）日：2010-02-03

  The present invention relates to compounds having pharmacological activity towards the 5-HT7 receptor, especially as agonists, identified by using a pharmacophore and a descriptor's profile filter as well as to pharmaceutical compositions comprising them. These compounds are useful in therapy in particular for the treatment and or prophylaxis of a disease in which 5-HT7 is involved, such as CNS disorders.

  本发明涉及具有药理活性的化合物，特别是作为5-HT7受体激动剂，通过使用药效团和描述符的配置文件筛选识别，以及包含它们的药物组合物。这些化合物在治疗中特别有用，特别是用于治疗和/或预防涉及5-HT7的疾病，如中枢神经系统紊乱。
• [EN] NOVEL 6,6A,7,8,9,10-HEXAHYDRO-4H-4,8,10A-TRIAZA-ACEPHENANTHRYLENE DERIVATIVES AS DOPAMINE D2 LIGANDS<br/>[FR] NOUVEAUX DÉRIVÉS 6,6A,7,8,9,10-HEXAHYDRO-4H-4,8,10A-TRIAZA-ACÉPHÉNANTHRYLÈNE EN TANT QUE LIGANDS DES RÉCEPTEURS D2 DE LA DOPAMINE
  申请人：LUNDBECK & CO AS H

  公开号：WO2011088838A1

  公开（公告）日：2011-07-28

  This invention is directed to compounds, which are dopamine D2 ligands. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. The present invention also provides processes for the preparation of the compounds of formula I or formula II, or a pharmaceutically acceptable salt thereof. The present invention further provides a method of treating a subject suffering from a neurodegenerative disorder comprising administering to the subject a therapeutically effective amount of a compound of formula I or formula II, or a pharmaceutically acceptable salt thereof. The present invention further provides a method of treating a subject suffering from a psychiatric disorder comprising administering to the subject a therapeutically effective amount of a compound of formula I or formula II, or a pharmaceutically acceptable salt thereof.

  这项发明涉及多巴胺D2受体配体化合物。该发明提供了一种包括该发明化合物的治疗有效量和药用载体的药物组合物。本发明还提供了制备式I或式II化合物或其药用可接受盐的方法。本发明还提供了一种治疗患有神经退行性疾病的受试者的方法，包括向受试者施用式I或式II化合物或其药用可接受盐的治疗有效量。本发明还提供了一种治疗患有精神障碍的受试者的方法，包括向受试者施用式I或式II化合物或其药用可接受盐的治疗有效量。
• Compounds useful in the treatment of cns disorders
  申请人：Bromidge Mark Steven

  公开号：US20050176705A1

  公开（公告）日：2005-08-11

  The invention relates to novel indole compounds having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of various CNS disorders.

  本发明涉及具有药理活性的新型吲哚化合物，其制备过程，包含它们的组合物以及它们在治疗各种中枢神经系统疾病中的应用。
• INDOLYL-SULFONYL- COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1335722B1

  公开（公告）日：2006-08-30
• 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1401812B1

  公开（公告）日：2006-06-28