2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine | 1241834-08-1

• 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: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine
• CAS: 1241834-08-1
• 化学式: C₂₀H₂₅NO₄
• 分子量: 343.423
• InChiKey: JUBFMDCZWSAWPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2-(benzo[d][1,3]dioxol-5-yl)-N-(3,4-dimethoxyphenethyl)ethan-1-amine 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine
  参考文献：
  名称：

  (±)-Nantenine analogs as antagonists at human 5-HT2A receptors: C1 and flexible congeners

  摘要：

  C1 and flexible analogs of (+/-)-nantenine were synthesized and evaluated for antagonist activity at human 5-HT(2)A receptors in a calcium mobilization assay. This work has resulted in the identification of the most potent 5-HT2A antagonist known based on an aporphine. Our results also suggest that the C1 position may be a key site for increasing 5-HT2A antagonist activity in this compound series. In addition, the structural rigidity of the aporphine core appears to be required for nantenine to function as a 5-HT2A antagonist. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.03.048

文献信息

• (±)-Nantenine analogs as antagonists at human 5-HT2A receptors: C1 and flexible congeners
  作者：Sandeep Chaudhary、Stevan Pecic、Onica LeGendre、Hérnan A. Navarro、Wayne W. Harding

  DOI：10.1016/j.bmcl.2009.03.048

  日期：2009.5

  C1 and flexible analogs of (+/-)-nantenine were synthesized and evaluated for antagonist activity at human 5-HT(2)A receptors in a calcium mobilization assay. This work has resulted in the identification of the most potent 5-HT2A antagonist known based on an aporphine. Our results also suggest that the C1 position may be a key site for increasing 5-HT2A antagonist activity in this compound series. In addition, the structural rigidity of the aporphine core appears to be required for nantenine to function as a 5-HT2A antagonist. Published by Elsevier Ltd.