2-tert-butyl-N,N-dimethyl-1H-imidazole-1-sulfonamide | 1416818-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-tert-butyl-N,N-dimethyl-1H-imidazole-1-sulfonamide
• 英文别名: 2-tert-butyl-N,N-dimethylimidazole-1-sulfonamide
• CAS: 1416818-48-8
• 化学式: C₉H₁₇N₃O₂S
• 分子量: 231.319
• InChiKey: MAYOBLDZDRLCHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-N,N-dimethyl-1H-imidazole-1-sulfonamide 在 正丁基锂 、 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 3.5h， 生成 (1R,2R,3R,5S)-N-((2-(tert-butyl)-1H-imidazol-5-yl)methyl)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine hydrochloride
  参考文献：
  名称：

  Imidazole-based pinanamine derivatives: Discovery of dual inhibitors of the wild-type and drug-resistant mutant of the influenza A virus

  摘要：

  We previously reported potent hit compound 4 inhibiting the wild-type influenza A virus A/HK/68 (H3N2) and A/M2-S31N mutant viruses A/WS/33 (H1N1), with its latter activity quite weak. To further increase its potency, a structure-activity relationship study of a series of imidazole-linked pinanamine derivatives was conducted by modifying the imidazole ring of this compound. Several compounds of this series inhibited the amantadine-sensitive virus at low micromolar concentrations. Among them, 33 was the most potent compound, which was identified as being active on an amantadine-sensitive virus through blocking of the viral M2 ion channel. Furthermore, 33 markedly inhibited the amantadine-resistant virus (IC50 = 3.4 mu M) and its activity increased by almost 24-fold compared to initial compound, with its action mechanism being not M2 channel mediated. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.12.013
• 作为产物：
  描述：

  ethyl 2,2-dimethylpropanimidoate hydrochloride 在 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 2-tert-butyl-N,N-dimethyl-1H-imidazole-1-sulfonamide
  参考文献：
  名称：

  [EN] LRRK2 INHIBITORS
  [FR] INHIBITEURS DE LRRK2

  摘要：

  公开号：

  WO2012178015A3

文献信息

• LRRK2 INHIBITORS
  申请人：Bounaud Pierre-Yves

  公开号：US20140205537A1

  公开（公告）日：2014-07-24

  Provided herein are compounds that inhibit or partially inhibit the activity of leucine rich repeat kinases. Also provided herein are methods of treatment of CNS disorders comprising administration of inhibitors of leucine rich repeat kinases.

  本文提供了抑制或部分抑制富含亮氨酸重复激酶活性的化合物。本文还提供了治疗中枢神经系统疾病的方法，包括给予富含亮氨酸重复激酶抑制剂的治疗。