4-<1-Hydroxy-cyclohexyl>-pyrazol | 23685-19-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-<1-Hydroxy-cyclohexyl>-pyrazol
• 英文别名: 1-(1H-pyrazol-4-yl)-cyclohexanol；1-(1H-pyrazol-4-yl)cyclohexan-1-ol
• CAS: 23685-19-0
• 化学式: C₉H₁₄N₂O
• 分子量: 166.223
• InChiKey: XFTYXTLZVLOPQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  新戊基碘 、 4-<1-Hydroxy-cyclohexyl>-pyrazol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(1-neopentyl-1H-pyrazol-4-yl)cyclohexan-1-ol
  参考文献：
  名称：

  Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: Structure–activity relationship of the aryl region

  摘要：

  The structure-activity relationship of the prime region of hydroxyethylamine BACE inhibitors is described. Variation in the aryl linker region with 5- and 6-membered heterocycles provided compounds such as 33 with improved permeability and reduced P-gp liability compared to benzyl amine analog 1. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.070
• 作为产物：
  描述：

  4-溴吡唑 、 环己酮 在 正丁基锂 作用下， 生成 4-<1-Hydroxy-cyclohexyl>-pyrazol
  参考文献：
  名称：

  Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: Structure–activity relationship of the aryl region

  摘要：

  The structure-activity relationship of the prime region of hydroxyethylamine BACE inhibitors is described. Variation in the aryl linker region with 5- and 6-membered heterocycles provided compounds such as 33 with improved permeability and reduced P-gp liability compared to benzyl amine analog 1. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.070

文献信息

• [EN] 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE<br/>[FR] DÉRIVÉS AMINO TRIAZOLO QUINAZOLINE 9-SUBSTITUÉS UTILES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2020112700A1

  公开（公告）日：2020-06-04

  In its many embodiments, the present invention provides certain 9-substituted amino triazolo quinazoline compounds of the structural Formula (I): (I), and pharmaceutically acceptable salts thereof, wherein, ring A, R1 and R2 are as defined herein, pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other therapeutically active agents), and methods for their preparation and use, alone and in combination with other therapeutic agents, as antagonists of A2a and/or A2b receptors, and in the treatment of a variety of diseases, conditions, or disorders that are mediated, at least in part, by the adenosine A2a receptor and/or the adenosine A2b receptor.

  在其多种实施方式中，本发明提供了具有结构式（I）的某些9-取代氨基三唑喹唑啉化合物（I），以及其药学上可接受的盐，其中，环A，R1和R2如本文所定义，包括一种或多种这样的化合物的药物组合物（单独和与一种或多种其他治疗活性剂的组合），以及其制备和使用的方法，单独和与其他治疗剂的组合，作为A2a和/或A2b受体的拮抗剂，并用于治疗由腺苷A2a受体和/或腺苷A2b受体至少部分介导的各种疾病、病况或紊乱。
• 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3886988A1

  公开（公告）日：2021-10-06