sodium 2-(1-(((3-(4-cyanophenyl)pyridin-4-yl)thio)methyl)cyclopropyl)acetate | 2377686-71-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: sodium 2-(1-(((3-(4-cyanophenyl)pyridin-4-yl)thio)methyl)cyclopropyl)acetate
• 英文别名: Darbinurad sodium；sodium;2-[1-[[3-(4-cyanophenyl)pyridin-4-yl]sulfanylmethyl]cyclopropyl]acetate
• CAS: 2377686-71-8
• 化学式: C₁₈H₁₅N₂O₂S*Na
• 分子量: 346.385
• InChiKey: NLLOVFGKUOFZPH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.36
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氰基苯硼酸 在 四(三苯基膦)钯 、 potassium acetate 、 sodium carbonate 、 potassium carbonate 、 sodium hydroxide 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 sodium 2-(1-(((3-(4-cyanophenyl)pyridin-4-yl)thio)methyl)cyclopropyl)acetate
  参考文献：
  名称：

  WO2019184897A5

  摘要：

  公开号：

  WO2019184897A5

文献信息

• NOVEL SALT FORMS OF URAT-1 INHIBITORS
  申请人：InventisBio Shanghai Ltd.

  公开号：EP3774733A1

  公开（公告）日：2021-02-17
• [EN] NOVEL SALT FORMS OF URAT-1 INHIBITORS<br/>[FR] NOUVELLES FORMES SALINES D'INHIBITEURS D'URAT-1
  申请人：INVENTISBIO SHANGHAI LTD

  公开号：WO2019183835A1

  公开（公告）日：2019-10-03

  Provided herein are compounds, salts, crystalline forms, and pharmaceutical compositions that are related to thiobutyrate compounds, such as Compound 1 and its salts (such as sodium, potassium, and calcium salt), as well as methods of preparing the same. Also provided herein are methods of using the compounds, salts, crystalline forms, and pharmaceutical compositions for the treatment of diseases or disorders, such as gout and hyperuricemia.
• [EN] NOVEL SALT FORMS OF URAT-1 INHIBITORS<br/>[FR] NOUVELLES FORMES DE SELS D'INHIBITEURS D'URAT-1
  申请人：INVENTISBIO SHANGHAI LTD

  公开号：WO2019184897A1

  公开（公告）日：2019-10-03

  Provided herein are compounds, salts, crystalline forms, and pharmaceutical compositions that are related to thiobutyrate compounds, such as Compound (1) and its salts (such as sodium, potassium, and calcium salt), as well as methods of preparing the same. Also provided herein are methods of using the compounds, salts, crystalline forms, and pharmaceutical compositions for the treatment of diseases or disorders, such as gout and hyperuricemia.