N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-phenylphenoxy)ethanamine | 1220748-18-4

• 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: N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-phenylphenoxy)ethanamine
• CAS: 1220748-18-4
• 化学式: C₃₀H₂₉NO₃
• 分子量: 451.565
• InChiKey: QTXPSJZUMKDMGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-Chlormethyl-2,2-diphenyl-dioxolan 、 2-biphenyl-2-yloxy-ethylamine 在 potassium iodide 作用下， 以 甲乙醚 为溶剂， 生成 N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-phenylphenoxy)ethanamine
  参考文献：
  名称：

  Discovery of a new series of 5-HT1A receptor agonists

  摘要：

  Starting from compounds previously identified as alpha(1)-adrenoceptor antagonists that were also found to bind to the 5-HT1A receptor, in an attempt to separate the two activities, a new series of 5-HT1A receptor agonists was identified and shown to have high potency and/or high selectivity. Of these, compound 13, which combines high selectivity (5-HT1A/alpha(1) = 151) and good agonist potency (pD(2) = 7.82; E-max = 76), was found to be the most interesting. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.030

文献信息

• Discovery of a new series of 5-HT1A receptor agonists
  作者：Silvia Franchini、Adolfo Prandi、Claudia Sorbi、Annalisa Tait、Annamaria Baraldi、Piero Angeli、Michela Buccioni、Antonio Cilia、Elena Poggesi、Paola Fossa、Livio Brasili

  DOI：10.1016/j.bmcl.2010.01.030

  日期：2010.3

  Starting from compounds previously identified as alpha(1)-adrenoceptor antagonists that were also found to bind to the 5-HT1A receptor, in an attempt to separate the two activities, a new series of 5-HT1A receptor agonists was identified and shown to have high potency and/or high selectivity. Of these, compound 13, which combines high selectivity (5-HT1A/alpha(1) = 151) and good agonist potency (pD(2) = 7.82; E-max = 76), was found to be the most interesting. (C) 2010 Elsevier Ltd. All rights reserved.