3'-[5-(1-羟基-1-甲基乙基)-1H-苯并咪唑-1-基]-[1,1'-联苯]-2-甲腈 | 951650-22-9

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 3'-[5-(1-羟基-1-甲基乙基)-1H-苯并咪唑-1-基]-[1,1'-联苯]-2-甲腈
• 中文别名: NS11394;3'-[5-(1-羟基-1-甲基乙基)-1H-苯并咪唑-1-基]-[1,1'-联苯]-2-甲腈
• 英文名称: NS 11394
• 英文别名: 3'-[5-(1-hydroxy-1-methyl-ethyl)-benzoimidazol-1-yl]-biphenyl-2-carbonitrile；3'-[5-(1-hydroxy-1-methyl-ethyl)-benzo[d]imidazol-1-yl]-biphenyl-2-carbonitrile；2-[3-[5-(2-Hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile
• CAS: 951650-22-9
• 化学式: C₂₃H₁₉N₃O
• 分子量: 353.423
• InChiKey: HLKYSQGBIIIQJN-UHFFFAOYSA-N

物化性质

• 沸点：
  623.7±65.0 °C(Predicted)
• 密度：
  1.17
• 溶解度：
  DMSO 中≥35.3 mg/mL，温和加热；不溶于水；乙醇中≥11.02 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

制备方法与用途

生物活性方面，NS11394 是一种针对 GABAA 受体的正向别构调节剂，特别选择了 α3 和 α5 亚型。

文献信息

• [EN] SUBSITITUTED BENZIMIDAZOLES<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2011047315A1

  公开（公告）日：2011-04-21

  This invention relates to novel substituted benzimidazoles and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a compound that modulates theGABAA receptor. This invention also provides novel intermediates for the preparation of the compounds of the invention, and salts thereof.

  这项发明涉及新型取代苯并咪唑及其药用盐。该发明还提供了包括本发明化合物的组合物，并且利用这些组合物在治疗通过给予调节GABAA受体的化合物而有益治疗的疾病和症状的方法。该发明还提供了用于制备本发明化合物及其盐的新型中间体。
• BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX
  申请人：Larsen Janus S.

  公开号：US20110257210A1

  公开（公告）日：2011-10-20

  The present application discloses novel benzimidazole derivatives of general formula (I) or an N-oxide thereof, any of its stereoisomers or any mixture of its stereoisomers, or a pharmaceutically acceptable salt thereof, wherein R represents a pyridyl or pyrimidyl group; which pyridyl or pyrimidyl group is optionally substituted with one or more substituents independently selected from the group consisting of: halo, trifluoromethyl, trifluoromethoxy, cyano, nitro, alkyl, hydroxy, hydroxyalkyl and alkoxy, and their use as modulators of the GABA A receptor complex. In other aspects the application discloses the use of these compounds, in a method for therapy and to pharmaceutical compositions comprising these compounds.

  本申请公开了一种新颖的苯并咪唑衍生物，其通式为（I）或其N-氧化物，其立体异构体中的任何一种或其立体异构体的任何混合物，或其药学上可接受的盐，其中R代表吡啶基或嘧啶基；所述吡啶基或嘧啶基可选择地与来自以下组的一个或多个取代基独立地取代：卤素，三氟甲基，三氟甲氧基，氰基，硝基，烷基，羟基，羟基烷基和烷氧基，并且其用作GABAA受体复合物的调节剂。在其他方面，该申请公开了这些化合物的用途，用于治疗方法和包含这些化合物的药物组合物。
• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE ET LEUR UTILISATION DANS LA MODULATION DU COMPLEXE DU RECÉPTEUR GABAA
  申请人：NEUROSEARCH AS

  公开号：WO2010055132A1

  公开（公告）日：2010-05-20

  The present application discloses novel benzimidazole derivatives and their use as modulators of the GABAA receptor complex. In other aspects the application discloses the use of these compounds, in a method for therapy and to pharmaceutical compositions comprising these compounds.

  本申请公开了新型苯并咪唑衍生物及其作为GABAA受体复合物调节剂的用途。在其他方面，该申请公开了这些化合物的用途，用于治疗的方法以及包含这些化合物的药物组合物。
• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE ET LEUR UTILISATION POUR LA MODULATION DU COMPLEXE DU RÉCEPTEUR GABAA
  申请人：NEUROSEARCH AS

  公开号：WO2010055131A1

  公开（公告）日：2010-05-20

  The present application discloses novel benzimidazole derivatives and their use as modulators of the GABAA receptor complex. In other aspects the application discloses the use of these compounds,in a method for therapy and to pharmaceutical compositions comprising these compounds.

  本申请公开了新型苯并咪唑衍生物及其作为GABAA受体复合物调节剂的用途。在其他方面，该申请公开了这些化合物的用途，包括治疗方法和包含这些化合物的制药组合物。
• Benzimidazole derivatives and their use for modulating the GABAa receptor complex
  申请人：NeuroSearch AS

  公开号：EP2319837A1

  公开（公告）日：2011-05-11

  This invention relates to novel benzimidazole derivatives of formula (I), pharmaceutical compositions containing these compounds, and methods of treatment therewith. The compounds of the invention are useful in the treatment of central nervous system diseases and disorders which are responsive to modulation of the GABAA receptor complex, and in particular for combating anxiety and related diseases.

  本发明涉及式（I）的新型苯并咪唑衍生物、含有这些化合物的药物组合物以及用其治疗的方法。 本发明的化合物可用于治疗对 GABAA 受体复合物的调节有反应的中枢神经系统疾病和失调，特别是用于防治焦虑症和相关疾病。