1-(10-Bromoanthracen-9-yl)-2-aminopropane | 1025556-02-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-(10-Bromoanthracen-9-yl)-2-aminopropane
• 英文别名: 1-(10-bromoanthracen-9-yl)propan-2-amine
• CAS: 1025556-02-8
• 化学式: C₁₇H₁₆BrN
• 分子量: 314.225
• InChiKey: TUYLBDQSCRSJBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-trifluoroacetyl-1-(10-bromoanthracen-9-yl)-2-aminopropane 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 生成 1-(10-Bromoanthracen-9-yl)-2-aminopropane
  参考文献：
  名称：

  The role of lipophilicity in determining binding affinity and functional activity for 5-HT2A receptor ligands

  摘要：

  The lipophilicity of a set of 5-HT2A ligands was determined using immobilized-artificial-membrane chromatography, a method that generates values well correlated with octanol-water partition coefficients. For agonists, a highly significant linear correlation was observed between binding affinity and lipophilicity. For ligands exhibiting partial agonist or antagonist properties, the lipophilicity was consistently higher than would be expected for an agonist of comparable affinity. The results suggest a possible method for distinguishing agonists from antagonists in high-throughput screening when a direct assay for functional activity is either unavailable or impractical. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.033

文献信息

• The role of lipophilicity in determining binding affinity and functional activity for 5-HT2A receptor ligands
  作者：Matthew A. Parker、Deborah M. Kurrasch、David E. Nichols

  DOI：10.1016/j.bmc.2008.02.033

  日期：2008.4

  The lipophilicity of a set of 5-HT2A ligands was determined using immobilized-artificial-membrane chromatography, a method that generates values well correlated with octanol-water partition coefficients. For agonists, a highly significant linear correlation was observed between binding affinity and lipophilicity. For ligands exhibiting partial agonist or antagonist properties, the lipophilicity was consistently higher than would be expected for an agonist of comparable affinity. The results suggest a possible method for distinguishing agonists from antagonists in high-throughput screening when a direct assay for functional activity is either unavailable or impractical. (c) 2008 Elsevier Ltd. All rights reserved.