2-(2,3-dihydro-4-(2-methoxyethyl)-1H-inden-1-yl)-1H-imidazole | 1092716-51-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(2,3-dihydro-4-(2-methoxyethyl)-1H-inden-1-yl)-1H-imidazole
• 英文别名: 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
• CAS: 1092716-51-2
• 化学式: C₁₅H₁₈N₂O
• 分子量: 242.321
• InChiKey: NNKSQAHRFKMBLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(2-methoxyethyl)-2,3-dihydro-1H-indene-1-carbonitrile 、 氨基乙醛缩二乙醇 在 盐酸 、 乙醇 作用下， 以 水 、 乙醇 为溶剂， 生成 2-(2,3-dihydro-4-(2-methoxyethyl)-1H-inden-1-yl)-1H-imidazole
  参考文献：
  名称：

  Novel 2-imidazoles as potent, selective and CNS penetrant α1A adrenoceptor partial agonists

  摘要：

  A novel series of central nervous system (CNS) penetrant indane 2-imidazoles have been identified as potent, partial agonists of the alpha(1A) adrenergic receptor, having good selectivity over the alpha(1B), alpha(1D) and alpha(2) sub-types. A key structural motif to impart selectivity is a methylene spacer between the indane and a pendant substituent, which includes heterocycles, sulphones and ethers. Introduction of an ortho-halogen to this group led to a lowering of intrinsic efficacy (E-max). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.066

文献信息

• Novel 2-imidazoles as potent, selective and CNS penetrant α1A adrenoceptor partial agonists
  作者：Lee R. Roberts、Justin Bryans、Kelly Conlon、Gordon McMurray、Alan Stobie、Gavin A. Whitlock

  DOI：10.1016/j.bmcl.2008.10.066

  日期：2008.12

  A novel series of central nervous system (CNS) penetrant indane 2-imidazoles have been identified as potent, partial agonists of the alpha(1A) adrenergic receptor, having good selectivity over the alpha(1B), alpha(1D) and alpha(2) sub-types. A key structural motif to impart selectivity is a methylene spacer between the indane and a pendant substituent, which includes heterocycles, sulphones and ethers. Introduction of an ortho-halogen to this group led to a lowering of intrinsic efficacy (E-max). (C) 2008 Elsevier Ltd. All rights reserved.