3-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-1-piperazinyl)-1-naphthoic acid | 954399-14-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-1-piperazinyl)-1-naphthoic acid
• 英文别名: 3-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)piperazin-1-yl)-1-naphthoic acid；3-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carbonyl]piperazin-1-yl]naphthalene-1-carboxylic acid
• CAS: 954399-14-5
• 化学式: C₃₄H₂₉FN₄O₅
• 分子量: 592.626
• InChiKey: VADRQOUYFHAIEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  97.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-Piperazin-1-ylnaphthalene-1-carboxylic acid 、 生成 3-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-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

文献信息

• Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators
  申请人：Berger Richard

  公开号：US20090118300A1

  公开（公告）日：2009-05-07

  Certain novel substituted imidazole 4-carboxamides are ligands of the human cholecystokinin receptor and, in particular, are selective ligands of the human cholecystokinin-1 receptor (CCK-1R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the modulation of CCK-1R, such as obesity, and diabetes.

  某些新型取代咪唑4-羧酰胺是人类胆囊收缩素受体的配体，特别是人类胆囊收缩素-1受体（CCK-1R）的选择性配体。因此，它们可用于治疗、控制或预防对CCK-1R调节敏感的疾病和疾病，如肥胖症和糖尿病。
• SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS
  申请人：Berger Richard

  公开号：US20100311649A1

  公开（公告）日：2010-12-09

  Certain novel substituted imidazole 4-carboxamides are ligands of the human cholecystokinin receptor and, in particular, are selective ligands of the human cholecystokinin-1 receptor (CCK-1R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the modulation of CCK-1R , such as obesity, and diabetes.

  某些新型取代咪唑-4-羧酰胺是人胆囊收缩素受体的配体，特别是人胆囊收缩素-1受体(CCK-1R)的选择性配体。因此，它们可用于治疗、控制或预防对CCK-1R调节敏感的疾病和障碍，如肥胖和糖尿病。
• US7795265B2
  申请人：——

  公开号：US7795265B2

  公开（公告）日：2010-09-14
• US7977339B2
  申请人：——

  公开号：US7977339B2

  公开（公告）日：2011-07-12
• 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.