N-(3-chloro-4-(4-ethylpiperazin-1-yl)phenyl)-3,4-difluorobenzamide | 1225221-04-4

• 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-(3-chloro-4-(4-ethylpiperazin-1-yl)phenyl)-3,4-difluorobenzamide
• 英文别名: N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3,4-difluorobenzamide
• CAS: 1225221-04-4
• 化学式: C₁₉H₂₀ClF₂N₃O
• 分子量: 379.837
• InChiKey: HIFXMAOMJYCUPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-chloro-4-(4-ethylpiperazin-1-yl)aniline 、 3,4-二氟苯甲酰氯 在 polymer-supported DIEA 、 polymer-supported trisamine 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3-chloro-4-(4-ethylpiperazin-1-yl)phenyl)-3,4-difluorobenzamide
  参考文献：
  名称：

  Synthesis and SAR of N-(4-(4-alklylpiperazin-1-yl)phenyl)benzamides as muscarinic acetylcholine receptor subtype 1 (M1) anatgonists

  摘要：

  This Letter describes the synthesis and SAR, developed through an iterative analog library approach, of a novel series of selective M-1 mAChR antagonists, based on an N-(4-(4-alkylpiperazin-1-yl)phenyl)benzamide scaffold for the potential treatment of Parkinson's disease, dystonia and other movement disorders. Compounds in this series possess M-1 antagonist IC(50)s in the 350 nM to >10 mu M range with varying degrees of functional selectivity versus M-2-M-5. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.041

文献信息

• Synthesis and SAR of N-(4-(4-alklylpiperazin-1-yl)phenyl)benzamides as muscarinic acetylcholine receptor subtype 1 (M1) anatgonists
  作者：Nicole R. Miller、R. Nathan Daniels、David Lee、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2010.02.041

  日期：2010.4

  This Letter describes the synthesis and SAR, developed through an iterative analog library approach, of a novel series of selective M-1 mAChR antagonists, based on an N-(4-(4-alkylpiperazin-1-yl)phenyl)benzamide scaffold for the potential treatment of Parkinson's disease, dystonia and other movement disorders. Compounds in this series possess M-1 antagonist IC(50)s in the 350 nM to >10 mu M range with varying degrees of functional selectivity versus M-2-M-5. (C) 2010 Elsevier Ltd. All rights reserved.