1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-1H-imidazole-4-carboxylic acid | 954382-62-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-1H-imidazole-4-carboxylic acid
• 英文别名: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
• CAS: 954382-62-8
• 化学式: C₁₉H₁₆N₂O₄
• 分子量: 336.347
• InChiKey: CEDPJDDSQAJTCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  5

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 、 1-萘-2-基-哌嗪盐酸盐 生成 1-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-4-(2-naphthyl)piperazine
  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：

  6-氨基-1,4-苯并二氧杂环 在 sodium hydroxide 、 sodium hexamethyldisilazane 、 sodium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 5.33h， 生成 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-1H-imidazole-4-carboxylic acid
  参考文献：
  名称：

  WO2007/120718

  摘要：

  公开号：

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：Duffy Joseph L.

  公开号：US20090281117A1

  公开（公告）日：2009-11-12

  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调节有响应的疾病和障碍，如肥胖症和糖尿病。
• Substituted imidazole-4-carboxamides as cholecystokinin-1 receptor modulators
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07759352B2

  公开（公告）日：2010-07-20

  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：Merck Sharp & Dohme Corp.

  公开号：US07977339B2

  公开（公告）日：2011-07-12

  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调节敏感的疾病和障碍，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。