N-[2-(7-{[8-({8-[2-(acetylamino)ethyl]-2-naphthyl}oxy)octyl]oxy}-1-naphthyl)-ethyl]acetamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[2-(7-{[8-({8-[2-(acetylamino)ethyl]-2-naphthyl}oxy)octyl]oxy}-1-naphthyl)-ethyl]acetamide
• 英文别名: N-[2-(7-{8-[8-(2-Acetylamino-ethyl)-naphthalen-2-yloxy]-octyloxy}-naphthalen-1-yl)-ethyl]-acetamide；N-[2-[7-[8-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyoctoxy]naphthalen-1-yl]ethyl]acetamide
• 化学式: C₃₆H₄₄N₂O₄
• 分子量: 568.756
• InChiKey: HGANNAJDFZSXBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  42
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,8-二溴辛烷 、 N-(2-(7-羟基萘-1-基)乙基)乙酰胺 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以74%的产率得到N-[2-(7-{[8-({8-[2-(acetylamino)ethyl]-2-naphthyl}oxy)octyl]oxy}-1-naphthyl)-ethyl]acetamide
  参考文献：
  名称：

  Design and Synthesis of Naphthalenic Dimers as Selective MT₁ Melatoninergic Ligands

  摘要：

  We report the synthesis and binding properties at MT1 and MT2 receptors of the first example of agomelatine (N-[2-(7-methoxynaphth-1-yl)ethyl] acetamide) dimers in which two agomelatine moieties are linked together through their methoxy substituent by a polymethylene side chain according to the "bivalent ligand" approach. Some of these compounds behave as MT1-selective ligands. The most selective one (5) behaves as an antagonist.

  DOI：

  10.1021/jm0255872

文献信息

• Substituted dimeric compounds
  申请人：——

  公开号：US20020035114A1

  公开（公告）日：2002-03-21

  The invention relates to compounds of formula (I): A—G 1 —Cy—G 2 —Cy—G 3 —B  (I) wherein: A represents NR 1 C(Q)R 2 , C(Q)NR 2 R 3 or NR 1 C(Q)NR 2 R 3 , B represents NR 1 C(Q)R 2 , C(Q)NR 2 R 3 , NR 1 C(Q)NR 2 R 3 , C(Q)OR 1 , NR 1 C(Q)OR 2 or NR 2 R 3 , G 1 and G 3 represent an optionally substituted alkylene chain, Cy represents a ring structure 1 G 2 represents a chain and medicinal products containing the same which are useful in treating or in preventing melatoninergic disorders.

  本发明涉及式(I)的化合物：A-G1-Cy-G2-Cy-G3-B  (I)，其中：A代表NR1C(Q)R2，C(Q)NR2R3或NR1C(Q)NR2R3，B代表NR1C(Q)R2，C(Q)NR2R3，NR1C(Q)NR2R3，C(Q)OR1，NR1C(Q)OR2或NR2R3，G1和G3代表可选取代的烷基链，Cy代表环结构，G2代表链，以及含有这些化合物的药物，其在治疗或预防褪黑激素失调方面有用。
• Nouveaux dérivés dimériques substitués, leur procédé de préparation et les compositions pharmaceutiques qui les contiennent
  申请人：LES LABORATOIRES SERVIER

  公开号：EP1038863B1

  公开（公告）日：2003-06-04
• US6319930B1
  申请人：——

  公开号：US6319930B1

  公开（公告）日：2001-11-20
• US6635650B2
  申请人：——

  公开号：US6635650B2

  公开（公告）日：2003-10-21
• Design and Synthesis of Naphthalenic Dimers as Selective MT₁ Melatoninergic Ligands
  作者：Carole Descamps-François、Saïd Yous、Philippe Chavatte、Valérie Audinot、Anne Bonnaud、Jean A. Boutin、Philippe Delagrange、Caroline Bennejean、Pierre Renard、Daniel Lesieur

  DOI：10.1021/jm0255872

  日期：2003.3.1

  We report the synthesis and binding properties at MT1 and MT2 receptors of the first example of agomelatine (N-[2-(7-methoxynaphth-1-yl)ethyl] acetamide) dimers in which two agomelatine moieties are linked together through their methoxy substituent by a polymethylene side chain according to the "bivalent ligand" approach. Some of these compounds behave as MT1-selective ligands. The most selective one (5) behaves as an antagonist.