2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino }-benzoic acid | 848187-11-1

• 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: 2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino }-benzoic acid
• 英文别名: 2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-benzoic acid；2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
• CAS: 848187-11-1
• 化学式: C₁₈H₁₂Cl₂N₂O₄
• 分子量: 391.21
• InChiKey: LQYSPXXEHJYHIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  92.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  哌啶 、 2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino }-benzoic acid 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(2,6-dichlorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of isoxazole carboxamides as growth hormone secretagogue receptor antagonists

  摘要：

  A series of isoxazole carboxamide derivatives has been developed as potent ghrelin receptor antagonists. The synthesis and structure-activity relationship (SAR) are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.075
• 作为产物：
  描述：

  3-双邻氯苯基-5-甲基-4-异恶唑酰氯 在 吗啉 、 四(三苯基膦)钯 、 碳酸氢钠 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino }-benzoic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationships of isoxazole carboxamides as growth hormone secretagogue receptor antagonists

  摘要：

  A series of isoxazole carboxamide derivatives has been developed as potent ghrelin receptor antagonists. The synthesis and structure-activity relationship (SAR) are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.075

文献信息

• Isoxazole carboxamide derivatives as ghrelin receptor modulators
  申请人：Liu Gang

  公开号：US20060089398A1

  公开（公告）日：2006-04-27

  The present invention is related to compounds of formula (I), or a therapeutically suitable salt or prodrug thereof, the preparation of the compounds, compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by ghrelin including anorexia, cancer cachexia, eating disorders, age-related decline in body composition, weight gain, obesity, and diabetes mellitus.

  本发明涉及式(I)的化合物，或其在治疗上适用的盐或前药，该化合物的制备，含有该化合物的组合物以及在预防或治疗由胃饥素调节的疾病中使用该化合物，包括厌食症、癌症恶病质、进食障碍、与年龄相关的身体组成下降、体重增加、肥胖和糖尿病。
• Synthesis and structure–activity relationships of isoxazole carboxamides as growth hormone secretagogue receptor antagonists
  作者：Zhili Xin、Hongyu Zhao、Michael D. Serby、Bo Liu、Verlyn G. Schaefer、Douglas H. Falls、Wiweka Kaszubska、Christine A. Colins、Hing L. Sham、Gang Liu

  DOI：10.1016/j.bmcl.2004.11.075

  日期：2005.2

  A series of isoxazole carboxamide derivatives has been developed as potent ghrelin receptor antagonists. The synthesis and structure-activity relationship (SAR) are described. (C) 2004 Elsevier Ltd. All rights reserved.