5-bromo-2-[4-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine | 188257-71-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-bromo-2-[4-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
• CAS: 188257-71-8
• 化学式: C₁₈H₁₇BrCl₂N₆
• 分子量: 468.183
• InChiKey: VXCMSPBUBFQNGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-bromo-2-[4-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine 在 chloroamine-T 、 sodium iodide 作用下， 以 甲醇 为溶剂， 反应 0.17h， 生成 5-bromo-2-[4-[[2-(3,5-dichlorophenyl)-4-iodo-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
  参考文献：
  名称：

  The synthesis of tritiated 2-phenyl-4-[4-(2-pyrimidyl)piperazinyl]methylimidazole ([3H] NGD 94-1), a ligand selective for the dopamine D4 receptor subtype

  摘要：

  A tritiated ligand for the dopamine D-4 receptor subtype, 2-phenyl-4-[4-(2-pyrimidyl) piperazinyl] methylimidazole ([H-3] NGD 94-1), was prepared in six steps starting with 3, 5-dichlorobenzonitrile. NGD 94-1 was shown to have a greater than 500 fold specificity for D-4 over other dopamine receptor subtypes.

  DOI：

  10.1002/(sici)1099-1344(199702)39:2<123::aid-jlcr959>3.0.co;2-w
• 作为产物：
  描述：

  3,5-二氯苯腈 在 盐酸 、 ammonium hydroxide 、 氯化亚砜 、 氯化铵 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 4.25h， 生成 5-bromo-2-[4-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
  参考文献：
  名称：

  The synthesis of tritiated 2-phenyl-4-[4-(2-pyrimidyl)piperazinyl]methylimidazole ([3H] NGD 94-1), a ligand selective for the dopamine D4 receptor subtype

  摘要：

  A tritiated ligand for the dopamine D-4 receptor subtype, 2-phenyl-4-[4-(2-pyrimidyl) piperazinyl] methylimidazole ([H-3] NGD 94-1), was prepared in six steps starting with 3, 5-dichlorobenzonitrile. NGD 94-1 was shown to have a greater than 500 fold specificity for D-4 over other dopamine receptor subtypes.

  DOI：

  10.1002/(sici)1099-1344(199702)39:2<123::aid-jlcr959>3.0.co;2-w

文献信息

• The synthesis of tritiated 2-phenyl-4-[4-(2-pyrimidyl)piperazinyl]methylimidazole ([3H] NGD 94-1), a ligand selective for the dopamine D4 receptor subtype
  作者：Andrew Thurkauf

  DOI：10.1002/(sici)1099-1344(199702)39:2<123::aid-jlcr959>3.0.co;2-w

  日期：1997.2

  A tritiated ligand for the dopamine D-4 receptor subtype, 2-phenyl-4-[4-(2-pyrimidyl) piperazinyl] methylimidazole ([H-3] NGD 94-1), was prepared in six steps starting with 3, 5-dichlorobenzonitrile. NGD 94-1 was shown to have a greater than 500 fold specificity for D-4 over other dopamine receptor subtypes.