1-(2-Bromophenyl)-2-[2-(3-chloro-4-methoxyphenyl)ethyl-methylamino]ethanol | 285978-30-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-Bromophenyl)-2-[2-(3-chloro-4-methoxyphenyl)ethyl-methylamino]ethanol
• 英文别名: 1-(2-bromophenyl)-2-[2-(3-chloro-4-methoxyphenyl)ethyl-methylamino]ethanol
• CAS: 285978-30-5
• 化学式: C₁₈H₂₁BrClNO₂
• 分子量: 398.727
• InChiKey: JOBFDARYYPBLHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-Bromophenyl)-2-[2-(3-chloro-4-methoxyphenyl)ethyl-methylamino]ethanol 在 硫酸 、 三溴化硼 作用下， 生成 5-(2-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
  参考文献：
  名称：

  Cyclopentadienyltricarbonylrheniumbenzazepines: synthesis and binding affinity

  摘要：

  Analogues of the benzazepine dopamine D-1 receptor antagonist SCH-23390 incorporating the cyclo-pentadienyl-tricarbonyl-rhenium (CPTR) moiety were synthesized and evaluated pharmacologically. The CPTR derivatives retained affinity (0.3-2.9 nM) and D-1 selectivity of the parent compound, supporting their use as neuropharmacological surrogates for Tc-99m-labeled SPECT radiopharmaceuticals. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00185-2
• 作为产物：
  描述：

  2-氯-4-(氯甲基)-1-甲氧基-苯 在 aluminium hydride 作用下， 以 水 、 N,N-二甲基甲酰胺 、 xylene 为溶剂， 生成 1-(2-Bromophenyl)-2-[2-(3-chloro-4-methoxyphenyl)ethyl-methylamino]ethanol
  参考文献：
  名称：

  Cyclopentadienyltricarbonylrheniumbenzazepines: synthesis and binding affinity

  摘要：

  Analogues of the benzazepine dopamine D-1 receptor antagonist SCH-23390 incorporating the cyclo-pentadienyl-tricarbonyl-rhenium (CPTR) moiety were synthesized and evaluated pharmacologically. The CPTR derivatives retained affinity (0.3-2.9 nM) and D-1 selectivity of the parent compound, supporting their use as neuropharmacological surrogates for Tc-99m-labeled SPECT radiopharmaceuticals. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00185-2

文献信息

• Cyclopentadienyltricarbonylrheniumbenzazepines: synthesis and binding affinity
  作者：Gilles Tamagnan、Ronald M Baldwin、Nora S Kula、Ross J Baldessarini、Robert B Innis

  DOI：10.1016/s0960-894x(00)00185-2

  日期：2000.5

  Analogues of the benzazepine dopamine D-1 receptor antagonist SCH-23390 incorporating the cyclo-pentadienyl-tricarbonyl-rhenium (CPTR) moiety were synthesized and evaluated pharmacologically. The CPTR derivatives retained affinity (0.3-2.9 nM) and D-1 selectivity of the parent compound, supporting their use as neuropharmacological surrogates for Tc-99m-labeled SPECT radiopharmaceuticals. (C) 2000 Elsevier Science Ltd. All rights reserved.