N-(2-chloro-5-(1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide | 1033811-53-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: N-(2-chloro-5-(1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide
• 英文别名: N-[2-chloro-5-(1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
• CAS: 1033811-53-8
• 化学式: C₁₄H₁₆ClN₃O₂S
• 分子量: 325.819
• InChiKey: IWGVFEQPKZLBMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  83.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-chloro-N-(2,2-diethoxyethyl)-5-(methylsulfonamido)-1,2,3,4-tetrahydronaphthalene-1-carboximidamide 在 盐酸 作用下， 生成 N-(2-chloro-5-(1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide
  参考文献：
  名称：

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

  摘要：

  Novel 2-imidazoles have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Sulfonamide 23 possessed attractive drug-like properties with respect to physicochemical and ADME properties and wide ligand selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.070

文献信息

• Novel 2-imidazoles as potent and selective α1A adrenoceptor partial agonists
  作者：Gavin A. Whitlock、Kelly Conlon、Gordon McMurray、Lee R. Roberts、Alan Stobie、Richard J. Thurlow

  DOI：10.1016/j.bmcl.2008.03.070

  日期：2008.5

  Novel 2-imidazoles have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Sulfonamide 23 possessed attractive drug-like properties with respect to physicochemical and ADME properties and wide ligand selectivity. (C) 2008 Elsevier Ltd. All rights reserved.