3-(2,6-Dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid | 774605-57-1

• 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: 3-(2,6-Dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid
• CAS: 774605-57-1
• 化学式: C₁₃H₁₁Cl₂NO₃
• mdl: MFCD19092969
• 分子量: 300.141
• InChiKey: LNPRSLPLJGGYGI-UHFFFAOYSA-N

物化性质

• 沸点：
  395.2±37.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-二乙基对苯二胺 、 3-(2,6-Dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid 在 1-羟基苯并三唑 、 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， 生成 3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-propylisoxazole-4-carboxamide
  参考文献：
  名称：

  Novel isoxazole carboxamides as growth hormone secretagogue receptor (GHS-R) antagonists

  摘要：

  Novel isoxazole carboxamides have been identified as growth hormone secretagogue receptor (GHS-R) antagonists. Substituent modification off the 5-position of the isoxazole ring led to analogues with potent binding affinity and functional antagonism of GHS-R. A potent analogue (32) with high aqueous solubility and good GPCR selectivity was also identified as a potential pharmacological tool for in vivo studies. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.060
• 作为产物：
  描述：

  3-(2,6-Dichloro-phenyl)-5-propyl-isoxazole-4-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 3-(2,6-Dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid
  参考文献：
  名称：

  Novel isoxazole carboxamides as growth hormone secretagogue receptor (GHS-R) antagonists

  摘要：

  Novel isoxazole carboxamides have been identified as growth hormone secretagogue receptor (GHS-R) antagonists. Substituent modification off the 5-position of the isoxazole ring led to analogues with potent binding affinity and functional antagonism of GHS-R. A potent analogue (32) with high aqueous solubility and good GPCR selectivity was also identified as a potential pharmacological tool for in vivo studies. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.060

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。
• [EN] ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS<br/>[FR] COMPOSÉS D'ISOXAZOLYL-CARBONYLOXY AZABICYCLO [3.2.1] OCTANE EN TANT QU'ACTIVATEURS DE FXR
  申请人：ARDELYX INC

  公开号：WO2018039384A1

  公开（公告）日：2018-03-01

  The disclosure relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): wherein L1, L2, A, B, R1, R2, R3, and R4 are described herein.

  该披露涉及FXR的激活剂，可用于治疗自身免疫性疾病、肝脏疾病、肠道疾病、肾脏疾病、癌症以及其他FXR发挥作用的疾病，其化学式为（I）：其中L1、L2、A、B、R1、R2、R3和R4如此描述。
• Novel isoxazole carboxamides as growth hormone secretagogue receptor (GHS-R) antagonists
  作者：Bo Liu、Gang Liu、Zhili Xin、Micheal D. Serby、Hongyu Zhao、Verlyn G. Schaefer、H. Douglas Falls、Wiweka Kaszubska、Christine A. Collins、Hing L. Sham

  DOI：10.1016/j.bmcl.2004.06.060

  日期：2004.10

  Novel isoxazole carboxamides have been identified as growth hormone secretagogue receptor (GHS-R) antagonists. Substituent modification off the 5-position of the isoxazole ring led to analogues with potent binding affinity and functional antagonism of GHS-R. A potent analogue (32) with high aqueous solubility and good GPCR selectivity was also identified as a potential pharmacological tool for in vivo studies. (C) 2004 Elsevier Ltd. All rights reserved.