(+/-)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (4-diethylaminophenyl)amide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (+/-)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (4-diethylaminophenyl)amide
• 英文别名: N-[4-(diethylamino)phenyl]naphthalene-2-carboxamide
• 化学式: C₂₁H₂₂N₂O
• 分子量: 318.418
• InChiKey: OXBRPMWIQANNTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N-二乙基对苯二胺 、 2-萘甲酸 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (+/-)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (4-diethylaminophenyl)amide
  参考文献：
  名称：

  Discovery of Tetralin Carboxamide Growth Hormone Secretagogue Receptor Antagonists via Scaffold Manipulation

  摘要：

  A case study of rational design of an efficient, specific, and proprietary molecular scaffold based on the structure-activity relationship (SAR) information on a screening hit is described. Potent, selective, and orally bioavailable tetralin carboxamide growth hormone secretagogue receptor (GHS-R) antagonists were discovered. Union of rational design and high throughput synthesis provided a quick access to high quality chemical leads.

  DOI：

  10.1021/jm0491750

文献信息

• Discovery of Tetralin Carboxamide Growth Hormone Secretagogue Receptor Antagonists via Scaffold Manipulation
  作者：Hongyu Zhao、Zhili Xin、Gang Liu、Verlyn G. Schaefer、H. Douglas Falls、Wiweka Kaszubska、Christine A. Collins、Hing L. Sham

  DOI：10.1021/jm0491750

  日期：2004.12.1

  A case study of rational design of an efficient, specific, and proprietary molecular scaffold based on the structure-activity relationship (SAR) information on a screening hit is described. Potent, selective, and orally bioavailable tetralin carboxamide growth hormone secretagogue receptor (GHS-R) antagonists were discovered. Union of rational design and high throughput synthesis provided a quick access to high quality chemical leads.