3-Piperazin-1-ylnaphthalene-1-carboxylic acid | 1061517-90-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-Piperazin-1-ylnaphthalene-1-carboxylic acid
• 英文别名: 3-piperazin-1-ylnaphthalene-1-carboxylic acid
• CAS: 1061517-90-5
• 化学式: C₁₅H₁₆N₂O₂
• 分子量: 256.304
• InChiKey: LTGVZJFHVYSJAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-1H-imidazole-4-carboxylic acid 、 3-Piperazin-1-ylnaphthalene-1-carboxylic acid 生成 3-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-1-piperazinyl)-1-naphthoic acid
  参考文献：
  名称：

  Discovery of imidazole carboxamides as potent and selective CCK1R agonists

  摘要：

  High-throughput screening revealed diaryl pyrazole 3 as a selective albeit modest cholecystokinin 1 receptor (CCK1R) agonist. SAR studies led to the discovery and optimization of a novel class of 1,2-diaryl imidazole carboxamides. Compound 44, which was pro. led extensively, showed good in vivo mouse gallbladder emptying (mGBE) and lean mouse overnight food intake (ONFI) reduction activities. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.057
• 作为产物：
  描述：

  C₂₀H₂₄N₂O₄ 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-Piperazin-1-ylnaphthalene-1-carboxylic acid
  参考文献：
  名称：

  Discovery of imidazole carboxamides as potent and selective CCK1R agonists

  摘要：

  High-throughput screening revealed diaryl pyrazole 3 as a selective albeit modest cholecystokinin 1 receptor (CCK1R) agonist. SAR studies led to the discovery and optimization of a novel class of 1,2-diaryl imidazole carboxamides. Compound 44, which was pro. led extensively, showed good in vivo mouse gallbladder emptying (mGBE) and lean mouse overnight food intake (ONFI) reduction activities. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.057

文献信息

• Discovery of pyrimidine carboxamides as potent and selective CCK1 receptor agonists
  作者：Liping Wang、James A. Hubert、Susan J. Lee、Jie Pan、Su Qian、Marc L. Reitman、Alison M. Strack、Drew T. Weingarth、Douglas J. MacNeil、Ann E. Weber、Scott D. Edmondson

  DOI：10.1016/j.bmcl.2011.03.069

  日期：2011.5

  A series of six-membered heterocycle carboxamides were synthesized and evaluated as cholecystokinin 1 receptor (CCK1R) agonists. A pyrimidine core proved to be the best heterocycle, and SAR studies resulted in the discovery of analog 5, a potent and structurally diverse CCK1R agonist. (C) 2011 Elsevier Ltd. All rights reserved.
• Discovery of imidazole carboxamides as potent and selective CCK1R agonists
  作者：Cheng Zhu、Alexa R. Hansen、Thomas Bateman、Zhesheng Chen、Tom G. Holt、James A. Hubert、Bindhu V. Karanam、Susan J. Lee、Jie Pan、Su Qian、Vijay B.G. Reddy、Marc L. Reitman、Alison M. Strack、Vincent Tong、Drew T. Weingarth、Michael S. Wolff、Doug J. MacNeil、Ann E. Weber、Joseph L. Duffy、Scott D. Edmondson

  DOI：10.1016/j.bmcl.2008.06.057

  日期：2008.8

  High-throughput screening revealed diaryl pyrazole 3 as a selective albeit modest cholecystokinin 1 receptor (CCK1R) agonist. SAR studies led to the discovery and optimization of a novel class of 1,2-diaryl imidazole carboxamides. Compound 44, which was pro. led extensively, showed good in vivo mouse gallbladder emptying (mGBE) and lean mouse overnight food intake (ONFI) reduction activities. (c) 2008 Elsevier Ltd. All rights reserved.