methyl 4-(methylthio)-2-oxo-6-(pyren-1-yl)-2H-pyran-3-carboxylate | 1448898-35-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: methyl 4-(methylthio)-2-oxo-6-(pyren-1-yl)-2H-pyran-3-carboxylate
• 英文别名: methyl 4-methylsulfanyl-2-oxo-6-pyren-1-ylpyran-3-carboxylate
• CAS: 1448898-35-8
• 化学式: C₂₄H₁₆O₄S
• 分子量: 400.455
• InChiKey: BBBCMDLJIYWPPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(methylthio)-2-oxo-6-(pyren-1-yl)-2H-pyran-3-carboxylate 、 2-phenyl-6,7-dihydro-2H-indazol-4(5H)-one 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以58%的产率得到methyl 8-(methylthio)-2-phenyl-6-(pyren-1-yl)-4,5-dihydro-2H-benzo[e]indazole-9-carboxylate
  参考文献：
  名称：

  Synthesis of substituted 2H-benzo[e]indazole-9-carboxylate as a potent antihyperglycemic agent that may act through IRS-1, Akt and GSK-3β pathways

  摘要：

  描述了取代的2H-苯并[e]吲唑-9-羧酸酯的合成和体外和体内降糖活性。

  DOI：

  10.1039/c6md00467a
• 作为产物：
  描述：

  1-乙酰基芘 、 2-[二(甲硫基)亚甲基]-丙二酸二甲酯 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 methyl 4-(methylthio)-2-oxo-6-(pyren-1-yl)-2H-pyran-3-carboxylate
  参考文献：
  名称：

  Synthesis of substituted 2H-benzo[e]indazole-9-carboxylate as a potent antihyperglycemic agent that may act through IRS-1, Akt and GSK-3β pathways

  摘要：

  描述了取代的2H-苯并[e]吲唑-9-羧酸酯的合成和体外和体内降糖活性。

  DOI：

  10.1039/c6md00467a

文献信息

• Substituted 4,5-Dihydro-2H-Benzo[e]Indazole-9-Carboxylates For The Treatment Of Diabetes And Related Disorders
  申请人：Council of Scientific & Industrial Research

  公开号：US20150005357A1

  公开（公告）日：2015-01-01

  The present invention relates to the development of novel substituted 4,5-dihydro-2H-benzo[e]indazole-9-carboxylates, which can be used as therapeutic agents for the treatment and prevention of metabolic disorders, and a process of preparing said novel compounds. More particularly, the present invention relates to substituted 4,5-dihydro-2H-benzo[e]indazole-9-carboxylates and their related compounds, processes for preparing the said compounds and to their use in the treatment of diabetes and related metabolic disorders.

  本发明涉及新型取代的4,5-二氢-2H-苯并[e]吲唑-9-羧酸酯的研发，该化合物可用作治疗和预防代谢性疾病的治疗剂，以及制备该新型化合物的方法。更具体地，本发明涉及取代的4,5-二氢-2H-苯并[e]吲唑-9-羧酸酯及其相关化合物，制备该化合物的方法以及它们在治疗糖尿病和相关代谢性疾病方面的应用。
• Substituted 4,5-dihydro-2H-benzo[e]indazole-9-carboxylates for the treatment of diabetes and related disorders
  申请人：Council of Scientific & Industrial Research

  公开号：US09096539B2

  公开（公告）日：2015-08-04

  The present invention relates to the development of novel substituted 4,5-dihydro-2H-benzo[e]indazole-9-carboxylates, which can be used as therapeutic agents for the treatment and prevention of metabolic disorders, and a process of preparing said novel compounds. More particularly, the present invention relates to substituted 4,5-dihydro-2H-benzo[e]indazole-9-carboxylates and their related compounds, processes for preparing the said compounds and to their use in the treatment of diabetes and related metabolic disorders.

  本发明涉及开发新型取代的4,5-二氢-2H-苯并[e]吲唑-9-羧酸酯，可以用作治疗和预防代谢性疾病的治疗剂，并提供了制备这些新化合物的过程。更具体地，本发明涉及取代的4,5-二氢-2H-苯并[e]吲唑-9-羧酸酯及其相关化合物，制备这些化合物的过程以及它们在治疗糖尿病和相关代谢性疾病中的使用。
• [EN] SUBSTITUTED 4,5-DIHYDRO-2H-BENZO[E]INDAZOLE-9-CARBOXYLATES FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS<br/>[FR] 4,5-DIHYDRO-2H-BENZO[E]INDAZOLE-9-CARBOXYLATES SUBSTITUÉS DESTINÉS AU TRAITEMENT DU DIABÈTE ET DE TROUBLES APPARENTÉS
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2013114403A8

  公开（公告）日：2013-10-03
• SUBSTITUTED 4,5-DIHYDRO-2H-BENZO[E]INDAZOLE-9-CARBOXYLATES FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS
  申请人：Council of Scientific & Industrial Research

  公开号：EP2809654B1

  公开（公告）日：2017-04-12
• US9096539B2
  申请人：——

  公开号：US9096539B2

  公开（公告）日：2015-08-04