4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol | 488128-84-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
• 英文别名: 4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
• CAS: 488128-84-3
• 化学式: C₁₆H₁₅N₃O₂S
• mdl: MFCD02854402
• 分子量: 313.38
• InChiKey: YEWUVIGBBFPVCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol 、 2-氯甲基-7-甲基吡啶并[1,2-a]嘧啶-4-酮 在 potassium carbonate 作用下， 以76%的产率得到2-[5-(4-methoxy-phenyl)-4-(2-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one
  参考文献：
  名称：

  [EN] AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF
  [FR] AGONISTES DU RÉCEPTEUR DE L'APÉLINE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2015184011A3
• 作为产物：
  描述：

  异氰酸2-甲氧苯酯 在 potassium carbonate 作用下， 以 水 、 乙腈 为溶剂， 生成 4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
  参考文献：
  名称：

  [EN] AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF
  [FR] AGONISTES DU RÉCEPTEUR DE L'APÉLINE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2015184011A3

文献信息

• Agonists of the apelin receptor and methods of use thereof
  申请人：Sanford Burnham Prebys Medical Discovery Institute

  公开号：US10570128B2

  公开（公告）日：2020-02-25

  Provided herein are small molecule agonists of the apelin receptor for the treatment of disease. The compounds disclosed herein are useful for the treatment of a range of cardiovascular, renal and metabolic conditions. The present invention is based on the seminal discovery of a series of potent small molecule agonists of the apelin receptor, which are useful for the treatment of diseases including heart failure, chronic kidney disease, hypertension, and metabolic disorders such as insulin resistance/diabetes and obesity. The compounds disclosed herein are highly specific for the apelin receptor versus the angiotensin II receptor (ATI).

  本文提供了用于治疗疾病的阿佩林受体小分子激动剂。本文公开的化合物可用于治疗一系列心血管、肾脏和代谢疾病。本发明基于一系列凋亡素受体强效小分子激动剂的开创性发现，这些激动剂可用于治疗包括心力衰竭、慢性肾病、高血压以及胰岛素抵抗/糖尿病和肥胖症等代谢性疾病。与血管紧张素 II 受体（ATI）相比，本文公开的化合物对阿佩林受体具有高度特异性。
• Chanda, Sumitra; Baluja, Shipra; Parekh, Jigna, Journal of the Indian Chemical Society, 2012, vol. 89, # 2, p. 281 - 285
  作者：Chanda, Sumitra、Baluja, Shipra、Parekh, Jigna

  DOI：——

  日期：——
• AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US20170197958A1

  公开（公告）日：2017-07-13

  Provided herein are small molecule agonists of the apelin receptor for the treatment of disease. The compounds disclosed herein are useful for the treatment of a range of cardiovascular, renal and metabolic conditions. The present invention is based on the seminal discovery of a series of potent small molecule agonists of the apelin receptor, which are useful for the treatment of diseases including heart failure, chronic kidney disease, hypertension, and metabolic disorders such as insulin resistance/diabetes and obesity. The compounds disclosed herein are highly specific for the apelin receptor versus the angiotensin II receptor (ATI).