N-{[4-(2-Methoxybenzyl)-1-piperazinyl]carbonyl}-N'-(1-naphthylmethyl)guanidine | 422567-56-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-{[4-(2-Methoxybenzyl)-1-piperazinyl]carbonyl}-N'-(1-naphthylmethyl)guanidine
• 英文别名: N-{[4-(2-methoxybenzyl)-1-piperazinyl]carbonyl}-N'-(1-naphthyl methyl)guanidine；4-[(2-methoxyphenyl)methyl]-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide
• CAS: 422567-56-4
• 化学式: C₂₅H₂₉N₅O₂
• 分子量: 431.538
• InChiKey: YMCQMAMWWWFJJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  83.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Tert-butyl-({[4-(2-methoxybenzyl)-1-piperazinyl]carbonyl}amino)[(1-naphthylmethyl)amino]methylidenecarbamate 、 trifluoracetic acid-dichloromethane 以42 mg of (5) was obtained的产率得到N-{[4-(2-Methoxybenzyl)-1-piperazinyl]carbonyl}-N'-(1-naphthylmethyl)guanidine
  参考文献：
  名称：

  Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis

  摘要：

  本发明涉及 amidino-urea 5-HT7 受体配体，制备该配体的方法，用于制备受体配体的中间体化合物，包含受体配体的制药组合物，以及使用受体配体治疗睡眠障碍、疼痛、抑郁症和精神分裂症的方法。该受体配体的化学式为（1）：其中化学式变量如定义所述，并且其药物可接受的盐、溶剂化合物、活性代谢物或前药。

  公开号：

  US20040044037A1

文献信息

• AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS
  申请人：Warner-Lambert Company LLC

  公开号：EP1332127A2

  公开（公告）日：2003-08-06
• [EN] AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS<br/>[FR] LIGANDS DU RECEPTEUR DE LA SEROTONINE AMIDINO-UREE ET COMPOSITIONS, LEURS APPLICATIONS PHARMACEUTIQUES ET LEURS PROCEDES DE SYNTHESE
  申请人：WARNER LAMBERT CO

  公开号：WO2002036554A2

  公开（公告）日：2002-05-10

  Novel amidino-urea 5-HT7 receptor ligands, methods of preparing such ligands, intermediate compounds useful in the preparation of the receptor ligands, pharmaceutical compositions comprising the receptor ligands, and methods of treating sleep disorders, pain, depression, and schizophrenia employing the receptor ligands are disclosed. The receptor ligands have formula (1): wherein the formula variables are as defined herein, and pharmaceutically acceptable salts, solvates, active metabolites, or prodrugs thereof.