N-(3-bromopropyl)-3,5-dichlorobenzamide

• 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-(3-bromopropyl)-3,5-dichlorobenzamide
• 化学式: C₁₀H₁₀BrCl₂NO
• 分子量: 311.005
• InChiKey: KAAUWQVNYJIGEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(3-bromopropyl)-3,5-dichlorobenzamide 、 1-(pyridin-2-yl)-piperazine hydrochloride 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 以50%的产率得到3,5-dichloro-N-(3-(4-(pyridin-2-yl)piperazin-1-yl)propyl)benzamide
  参考文献：
  名称：

  Design, synthesis and docking study of 4-arylpiperazine carboxamides as monoamine neurotransmitters reuptake inhibitors

  摘要：

  Rational drug design method has been used to generate 4-arylpiperazine carboxamides in an effort to develop safer, more potent and effective monoamine neurotransmitters reuptake inhibitors. Out of twenty-seven synthesized compounds, compound 9 displayed potent monoamine neurotransmitter reuptake inhibitory activity against HEK cells transfected with hSERT or hNET. A Surflex-Dock docking model of 9 was also studied.

  DOI：

  10.1016/j.bmc.2018.06.043
• 作为产物：
  描述：

  3,5-二氯苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3-bromopropyl)-3,5-dichlorobenzamide
  参考文献：
  名称：

  신규한 카복사마이드 유도체 염 및 그 용도

  摘要：

  This invention relates to a novel carbazomide derivative salt having therapeutic effects for mental disorders, and its use. The compound of chemical formula 1 or a pharmaceutically acceptable salt thereof can treat or prevent mental disorders such as depression, anxiety disorders, panic disorders, obsessive-compulsive disorders, phobias, and attention deficit hyperactivity disorder. It can increase compliance, have minimal side effects, and have a therapeutic effect for mental disorders by effectively inhibiting the reuptake of serotonin, norepinephrine, or dopamine.

  公开号：

  KR101784964B1

文献信息

• Design and synthesis of 4-benzylpiperidine carboxamides as dual serotonin and norepinephrine reuptake inhibitors
  作者：Suresh Paudel、Yongkai Cao、Shuohan Guo、Byeongkwan An、Kyeong-Man Kim、Seung Hoon Cheon

  DOI：10.1016/j.bmc.2015.08.022

  日期：2015.10

  A series of 4-benzylpiperidine carboxamides were designed and synthesized, and tested for their dual (serotonin and norepinephrine) reuptake inhibition. The synthesis of 4-benzylpiperidine carboxamides involved two main steps: amidation and substitution. Derivatives with 3 carbon linker displayed better activity than with 2 carbon linker. 4-Biphenyl- and 2-naphthyl-substituted derivatives 7e and 7j showed greater dual reuptake inhibition than standard drug venlafaxine HCl. (C) 2015 Elsevier Ltd. All rights reserved.