BU99006 | 267644-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: BU99006
• 英文别名: 1H-Imidazole, 4,5-dihydro-2-(5-isothiocyanato-2-benzofuranyl)-；2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
• CAS: 267644-51-9
• 化学式: C₁₂H₉N₃OS
• 分子量: 243.289
• InChiKey: RUDBUHTXVGVWTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  82
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  硫光气 、 2-(4,5-Dihydro-1H-imidazol-2-yl)-benzofuran-5-ylamine; hydrochloride 以 水 、 丙酮 为溶剂， 反应 1.5h， 以75%的产率得到BU99006
  参考文献：
  名称：

  Probes for imidazoline binding sites: synthesis and evaluation of a selective, irreversible I 2 ligand

  摘要：

  An irreversible ligand (7) has been prepared based on the selective I-2 ligand 2-BFI. Compound 7 displayed high affinity and selectivity for I-2-sites and has been shown to irreversibly bind to these sites in rat brain. Compound 7 should, therefore, prove an invaluable tool for the further elucidation of I-2-site function. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00062-7

文献信息

• Probes for imidazoline binding sites: synthesis and evaluation of a selective, irreversible I 2 ligand
  作者：Philippa A. Coates、Peter Grundt、Emma S.J. Robinson、David J. Nutt、Robin Tyacke、Alan L. Hudson、John W. Lewis、Stephen M. Husbands

  DOI：10.1016/s0960-894x(00)00062-7

  日期：2000.3

  An irreversible ligand (7) has been prepared based on the selective I-2 ligand 2-BFI. Compound 7 displayed high affinity and selectivity for I-2-sites and has been shown to irreversibly bind to these sites in rat brain. Compound 7 should, therefore, prove an invaluable tool for the further elucidation of I-2-site function. (C) 2000 Elsevier Science Ltd. All rights reserved.