Bicyclo[3.3.1]nonane-3-carbonyl chloride | 922497-06-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: Bicyclo[3.3.1]nonane-3-carbonyl chloride
• 英文别名: bicyclo[3.3.1]nonane-3-carbonyl chloride
• CAS: 922497-06-1
• 化学式: C₁₀H₁₅ClO
• 分子量: 186.681
• InChiKey: WODLJWRTFMXVCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Bicyclo[3.3.1]nonane-3-carbonyl chloride 、 (3R)-3-甲基-1-(2-吡啶基)哌嗪 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-bicyclo[3.3.1]nonanyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
  参考文献：
  名称：

  N-Acyl-N′-arylpiperazines as negative allosteric modulators of mGlu1: Identification of VU0469650, a potent and selective tool compound with CNS exposure in rats

  摘要：

  Development of SAR in an N-acyl-N'-arylpiperazine series of negative allosteric modulators of mGlu(1) using a functional cell-based assay is described in this Letter. Characterization of selected compounds in protein binding assays was used to aid in selecting VU0469650 for further profiling in ancillary pharmacology assays and pharmacokinetic studies. VU0469650 demonstrated an excellent selectivity profile and good exposure in both plasma and brain samples following intraperitoneal dosing in rats. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.020

文献信息

• Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation
  申请人：Malamas Sotirios Michael

  公开号：US20070027199A1

  公开（公告）日：2007-02-01

  The present invention provides a 2-amino-5-cycloalkyl-hydantoin compound of formula I The present invention also provides methods and compositions for the inhibition of β-secretase (BACE) and the treatment of β-amyloid deposits and neurofibrillary tangles.

  本发明提供了一种公式I的2-氨基-5-环烷基乙内酰脲化合物。 本发明还提供了一种用于抑制β-分泌酶（BACE）以及治疗β-淀粉样蛋白沉积和神经纤维缠结的方法和组合物。
• CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION
  申请人：Wyeth

  公开号：EP1910309A2

  公开（公告）日：2008-04-16
• [EN] CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION<br/>[FR] COMPOSES DE CYCLOALKYL AMINO-HYDANTOIN ET LEUR UTILISATION POUR MODULER LA $G(B)-SECRETASE
  申请人：WYETH CORP

  公开号：WO2007016012A2

  公开（公告）日：2007-02-08

  [EN] The present invention provides a 2-amino-5-cycloalkyl-hydantoin compound of formula (I) The present invention also provides methods and compositions for the inhibition of ß-secretase (BACE) and the treatment of ß-amyloid deposits and neurofibrillary tangles.
  [FR] L'invention concerne un composé de 2-amino-5-cycloalkyl-hydantoin représenté par la formule (I). L'invention concerne également des méthodes et des compositions permettant d'inhiber la ß-secrétase (BACE) et de traiter les dépôts ß-amyloïdes et les enchevêtrements neurofibrillaires.
• N-Acyl-N′-arylpiperazines as negative allosteric modulators of mGlu1: Identification of VU0469650, a potent and selective tool compound with CNS exposure in rats
  作者：Kimberly M. Lovell、Andrew S. Felts、Alice L. Rodriguez、Daryl F. Venable、Hyekyung P. Cho、Ryan D. Morrison、Frank W. Byers、J. Scott Daniels、Colleen M. Niswender、P. Jeffrey Conn、Craig W. Lindsley、Kyle A. Emmitte

  DOI：10.1016/j.bmcl.2013.05.020

  日期：2013.7

  Development of SAR in an N-acyl-N'-arylpiperazine series of negative allosteric modulators of mGlu(1) using a functional cell-based assay is described in this Letter. Characterization of selected compounds in protein binding assays was used to aid in selecting VU0469650 for further profiling in ancillary pharmacology assays and pharmacokinetic studies. VU0469650 demonstrated an excellent selectivity profile and good exposure in both plasma and brain samples following intraperitoneal dosing in rats. (C) 2013 Elsevier Ltd. All rights reserved.