2-isopropyl-4-methyl-5-pyrimidinecarboxylic acid | 954233-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-isopropyl-4-methyl-5-pyrimidinecarboxylic acid
• 英文别名: 2-Isopropyl-4-methyl-pyrimidine-5-carboxylic acid；4-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid
• CAS: 954233-00-2
• 化学式: C₉H₁₂N₂O₂
• mdl: MFCD09750210
• 分子量: 180.206
• InChiKey: GFVUJVMQWKNZDD-UHFFFAOYSA-N

物化性质

• 沸点：
  305.9±22.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-isopropyl-4-methyl-5-pyrimidinecarboxylic acid 、 ethyl (E)-2-amino-5,5-dimethyl-3-hexenoate 在 1-丙基磷酸酐 、 N,N-二异丙基乙胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 以35.9 %的产率得到ethyl (E)-2-(2-isopropyl-4-methyl-5-pyrimidinylcarbonylamino)-5,5-dimethyl-3-hexenoate
  参考文献：
  名称：

  [EN] SORTILIN INHIBITORS
  [FR] INHIBITEURS DE LA SORTILINE

  摘要：

  The present invention is directed towards compounds of formula (I), capable of binding to sortilin and thereby useful as sortilin inhibitors in the treatment of diseases, disorders and conditions associated with sortilin activity and binding of ligands, such as progranulin, to sortilin.

  公开号：

  WO2023101595A1

文献信息

• BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20180057505A1

  公开（公告）日：2018-03-01

  The compounds of formula I, wherein the variables are as defined herein, and pharmaceutically acceptable salts thereof are useful as inhibitors of the PAR-2 signaling pathway. The compounds of formula I and pharmaceutically acceptable compositions comprising such compounds can be employed for treating various diseases, disorders, and conditions.
• [EN] SORTILIN INHIBITORS<br/>[FR] INHIBITEURS DE LA SORTILINE
  申请人：[en]SORTINA PHARMA AB

  公开号：WO2023101595A1

  公开（公告）日：2023-06-08

  The present invention is directed towards compounds of formula (I), capable of binding to sortilin and thereby useful as sortilin inhibitors in the treatment of diseases, disorders and conditions associated with sortilin activity and binding of ligands, such as progranulin, to sortilin.