(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone | 1132670-44-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
• 英文别名: [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone
• CAS: 1132670-44-0
• 化学式: C₂₀H₂₇N₃O₂
• 分子量: 341.453
• InChiKey: YRARSLSMZOUVKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (4-Bromophenyl)-[2-(1-isopropyl-piperidin-4-ylmethoxy)-3-methyl-3H-imidazol-4-yl]-methanone 在 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 为溶剂， 以90%的产率得到(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
  参考文献：
  名称：

  Novel imidazole-based histamine H3 antagonists

  摘要：

  A novel series of imidazole containing histamine H-3 receptor ligands were investigated and found to be potent functional antagonists. After improving the stability of these molecules towards liver microsomes, these compounds were found to have no appreciable affinity for CYP P450s. Subsequent in vivo experiments showed significant brain uptake of (4-chloro-phenyl)-[2-(1-isopropyl-piperidin-4-ylmethoxy)-3-methyl-3H-imidazol-4-yl]-methanone 22. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.114

文献信息

• Novel imidazole-based histamine H3 antagonists
  作者：Jill A. Jablonowski、Kiev S. Ly、Michael Bogenstaetter、Curt A. Dvorak、Jamin D. Boggs、Lisa K. Dvorak、Brian Lord、Kirsten L. Miller、Curt Mazur、Sandy J. Wilson、Timothy W. Lovenberg、Nicholas I. Carruthers

  DOI：10.1016/j.bmcl.2008.11.114

  日期：2009.2

  A novel series of imidazole containing histamine H-3 receptor ligands were investigated and found to be potent functional antagonists. After improving the stability of these molecules towards liver microsomes, these compounds were found to have no appreciable affinity for CYP P450s. Subsequent in vivo experiments showed significant brain uptake of (4-chloro-phenyl)-[2-(1-isopropyl-piperidin-4-ylmethoxy)-3-methyl-3H-imidazol-4-yl]-methanone 22. (C) 2008 Elsevier Ltd. All rights reserved.