4-(1H-indol-5-yl)-2-methylbut-3-yn-2-ol | 907179-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-(1H-indol-5-yl)-2-methylbut-3-yn-2-ol
• 英文别名: 4-(1H-indol-5-yl)-2-methyl-but-3-yn-2-ol
• CAS: 907179-76-4
• 化学式: C₁₃H₁₃NO
• 分子量: 199.252
• InChiKey: FPHWJQWIQRGLDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  36
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(1H-indol-5-yl)-2-methylbut-3-yn-2-ol 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以74%的产率得到5-乙炔-1H-吲哚
  参考文献：
  名称：

  WO2006/87306

  摘要：

  公开号：
• 作为产物：
  描述：

  2-甲基-3-丁炔-2-醇 在 copper(l) iodide 、 三苯基膦 potassium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 15.5h， 以33%的产率得到4-(1H-indol-5-yl)-2-methylbut-3-yn-2-ol
  参考文献：
  名称：

  WO2006/87306

  摘要：

  公开号：

文献信息

• Diazabicyclic Aryl Derivatives and Their Use as Chinolinergic Ligands at the Nicotinic Acetylcholine Receptors
  申请人：Peters Dan

  公开号：US20080146582A1

  公开（公告）日：2008-06-19

  This invention relates to novel diazabicyclic aryl derivatives which are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及一种新型的二氮杂双环芳基衍生物，这些衍生物被发现是乙酰胆碱受体的胆碱能配体，以及单胺类受体和转运体的调节剂。由于它们的药理特性，本发明的化合物可能对治疗与中枢神经系统（CNS）和周围神经系统（PNS）的胆碱能系统相关的疾病或障碍、平滑肌收缩相关的疾病或障碍、内分泌疾病或障碍、神经退行性疾病或障碍、炎症相关的疾病或障碍、疼痛以及因滥用化学物质而引起的戒断症状可能有用。
• Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors
  申请人：Neurosearch A/S

  公开号：US07662812B2

  公开（公告）日：2010-02-16

  This invention relates to novel diazabicyclic aryl derivatives which are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及一种新型的二氮杂双环芳基衍生物，它们被发现是乙酰胆碱受体的胆碱能配体，并且是单胺类受体和转运体的调节剂。由于它们的药理特性，本发明的化合物可能对治疗与中枢神经系统（CNS）的胆碱能系统、外周神经系统（PNS）、平滑肌收缩相关的疾病或疾病、内分泌疾病或疾病、神经退行性疾病或疾病、与炎症、疼痛以及因滥用化学物质而引起的戒断症状相关的疾病或疾病具有用处。
• DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS
  申请人：NeuroSearch A/S

  公开号：EP1863819B1

  公开（公告）日：2011-01-12
• US7662812B2
  申请人：——

  公开号：US7662812B2

  公开（公告）日：2010-02-16
• [EN] NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] NOUVEAUX DERIVES ARYLE DIAZABICYCLIQUES ET LEUR UTILISATION MEDICALE
  申请人：NEUROSEARCH AS

  公开号：WO2006087306A2

  公开（公告）日：2006-08-24

  [EN] This invention relates to novel diazabicyclic aryl derivatives which are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.
  [FR] L'invention concerne de nouveaux dérivés aryle diazabicycliques dont on a découvert qu'ils étaient des ligands cholinergiques au niveau des récepteurs nicotiniques de l'acétylcholine et des modulateurs des récepteurs et des transporteurs de la monoamine. Du fait de leur profil pharmacologique, les composés selon l'invention peuvent être utilisés pour traiter des maladies et des troubles aussi divers que ceux associés au système cholinergique du système nerveux central (SNC) et du système nerveux périphérique (SNP), des maladies ou des troubles associés à la contraction des muscles lisses, des maladies ou des troubles endocriniens, des maladies ou des troubles associés à la neurodégénérescence et des maladies ou des troubles associés aux inflammations, aux douleurs et aux symptômes de sevrage entraînés par l'arrêt de la consommation du substances chimiques.