3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)propanenitrile | 195327-02-7

• 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: 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)propanenitrile
• 英文别名: 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanenitrile
• CAS: 195327-02-7
• 化学式: C₁₆H₁₉N₃
• 分子量: 253.347
• InChiKey: DFYXVIAMHBGWFS-UHFFFAOYSA-N

物化性质

• 沸点：
  457.9±45.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  32
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丙烯腈 、 2,8-二甲基-2,3,4,5-四氢-1H-吡啶并[4,3-b]吲哚 在 苄基三甲基氢氧化铵 作用下， 以 甲苯 、 苯 为溶剂， 生成 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)propanenitrile
  参考文献：
  名称：

  [EN] NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF
  [FR] COMPOSÉS INÉDITS DE 2,3,4,5-TÉTRAHYDRO-1H-PYRIDO[4,3-B]INDOLE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2009094668A8

文献信息

• NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Hung David T.

  公开号：US20100022580A1

  公开（公告）日：2010-01-28

  This disclosure relates to new tricyclic compounds that may be used to modulate a histamine receptor in an individual. Compounds are described, including new 2,3,4,5-tetrahydro- 1 H-pyrido[4,3-b]indole compounds. Pharmaceutical compositions comprising the compounds are also provided, as are methods of using the compounds in a variety of therapeutic applications, including the treatment of a cognitive disorder, psychotic disorder, neurotransmitter-mediated disorder and/or a neuronal disorder.

  本公开涉及新的三环化合物，可用于调节个体中的组胺受体。其中描述了化合物，包括新的2,3,4,5-四氢-1H-吡啶[4,3-b]吲哚化合物。还提供了包含该化合物的制药组合物，以及使用该化合物治疗各种治疗应用的方法，包括治疗认知障碍、精神病性障碍、神经递质介导的障碍和/或神经元障碍。
• 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Medivation Technologies, Inc.

  公开号：US20130190347A1

  公开（公告）日：2013-07-25

  This disclosure relates to new tricyclic compounds that may be used to modulate a histamine receptor in an individual. Compounds are described, including new 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole compounds. Pharmaceutical compositions comprising the compounds are also provided, as are methods of using the compounds in a variety of therapeutic applications, including the treatment of a cognitive disorder, psychotic disorder, neurotransmitter-mediated disorder and/or a neuronal disorder.

  本公开涉及新的三环化合物，可用于调节个体中的组胺受体。其中包括新的2,3,4,5-四氢-1H-吡啶[4,3-b]吲哚化合物。此外还提供了包含这些化合物的制药组合物，以及使用这些化合物治疗各种治疗应用的方法，包括治疗认知障碍、精神障碍、神经递质介导的障碍和/或神经元障碍。
• NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：MEDIVATION TECHNOLOGIES, INC.

  公开号：US20130190348A1

  公开（公告）日：2013-07-25

  This disclosure relates to new tricyclic compounds that may be used to modulate a histamine receptor in an individual. Compounds are described, including new 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole compounds. Pharmaceutical compositions comprising the compounds are also provided, as are methods of using the compounds in a variety of therapeutic applications, including the treatment of a cognitive disorder, psychotic disorder, neurotransmitter-mediated disorder and/or a neuronal disorder.

  本披露涉及新的三环化合物，可用于调节个体中的组胺受体。本文描述了包括新的2,3,4,5-四氢-1H-吡啶[4,3-b]吲哚化合物在内的化合物。还提供了包括该化合物的药物组合物，以及使用该化合物在各种治疗应用中的方法，包括治疗认知障碍、精神障碍、神经递质介导的障碍和/或神经元障碍。
• 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof
  申请人：Hung David T.

  公开号：US09115137B2

  公开（公告）日：2015-08-25

  Provided are new tricyclic compounds that may be used to modulate a histamine receptor in an individual. Compounds are described, including new 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole compounds. Pharmaceutical compositions comprising the compounds are also provided, as are methods of using the compounds in a variety of therapeutic applications, including the treatment of a cognitive disorder, psychotic disorder, neurotransmitter-mediated disorder and/or a neuronal disorder.

  提供了一些新的三环化合物，可以用于调节个体中的组胺受体。其中包括新的2,3,4,5-四氢-1H-吡啶[4,3-b]吲哚化合物。还提供了包含这些化合物的药物组合物，以及使用这些化合物进行各种治疗应用的方法，包括治疗认知障碍、精神障碍、神经递质介导的障碍和/或神经元障碍。
• LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF
  申请人：Alla Chem, LLC.

  公开号：EP2184064A2

  公开（公告）日：2010-05-12

  The invention relates to novel ligands of 5-HT6 receptor, to a pharmaceutical composition containing said novel ligands of 5-HT6 receptor as active component and to novel medicaments used for humans and warm-blooded animals for treating diseases and conditions of central nervous system, in pathogenesis of which neuromediator systems induced by 5-HT6 receptors are playing an essential role. Azaheterocyclic compounds of the general formula 1 or racemates, or optical or geometrical isomers, or pharmaceutically acceptable salts and/or hydrates thereof are used as 5-HT6 ligands. Wherein R2 and R3 independently of each other represent an amino group substituent selected from hydrogen; substituted carbonyl; substituted aminocarbonyl; substituted aminothiocarbonyl; substituted sulphonyl; C1-C5-alkyl optionally substituted by: C6-C10-arylaminocarbonyl, heterocyclyl, C6-C10-arylaminocarbonyl, C6-C10-arylaminothiocarbonyl, C5-C10-azaheteroaryl, optionally substituted carboxyl, nitryl group, optionally substituted aryl; R1k represents from 1 to 3 substituents of cyclic system, independent of each other and selected from hydrogen, optionally substituted C1-C5-alkyl, C1-C5-alkoxy, C1-C5-alkenyl, C1-C5-alkynyl, halogen, trifluoromethyl, CN-group, carboxyl, optionally substituted aryl, optionally substituted heterocyclyl, substituted sulfonyl, optionally substituted carboxyl; the solid line accompanied by the dotted line (---) represents a single or a double bond; n=1,2 or 3.

  本发明涉及 5-HT6 受体的新型配体、含有所述 5-HT6 受体新型配体作为活性成分的药物组合物以及用于人类和温血动物治疗中枢神经系统疾病和病症的新型药物，在中枢神经系统疾病和病症的发病机制中，5-HT6 受体诱导的神经介导系统发挥着重要作用。 通式 1 的杂杂环化合物或外消旋体，或光学或几何异构体，或其药学上可接受的盐和/或水合物可用作 5-HT6 配体。 其中，R2 和 R3 相互独立地代表一个氨基取代基，该取代基选自氢；取代的羰基；取代的氨基羰基；取代的氨基硫代羰基；取代的磺酰基；任选被以下取代的 C1-C5- 烷基：C6-C10-芳基氨基羰基：C6-C10-芳基氨基羰基、杂环烷基、C6-C10-芳基氨基羰基、C6-C10-芳基氨基硫代羰基、C5-C10-氮杂环芳基、任选取代的羧基、硝基、任选取代的芳基；R1k 代表 1 至 3 个相互独立的环状体系取代基，选自氢、任选取代的 C1-C5- 烷基、C1-C5-烷氧基、C1-C5-烯基、C1-C5-炔基、卤素、三氟甲基、CN 基、羧基、任选取代的芳基、任选取代的杂环基、取代的磺酰基、任选取代的羧基；伴随虚线 (---) 的实线代表单键或双键；n=1、2 或 3。