5-甲氧基-2-苯并恶唑羧酸 | 49559-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 5-甲氧基-2-苯并恶唑羧酸
• 英文名称: 5-methoxybenzo[d]oxazole-2-carboxylic acid
• 英文别名: 5-Methoxy-benzoxazol-2-carbonsaeure；5-methoxy-benzooxazole-2-carboxylic acid；5-Methoxy-1,3-benzoxazole-2-carboxylic acid
• CAS: 49559-68-4
• 化学式: C₉H₇NO₄
• mdl: MFCD09701306
• 分子量: 193.159
• InChiKey: SNQUKJWKYRHONV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-甲氧基-2-苯并恶唑羧酸 在 三溴化硼 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 5-hydroxy-N-(4-methyl-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)benzo[d]oxazole-2-carboxamide
  参考文献：
  名称：

  PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS

  摘要：

  Provided are compounds of Formula I, Formula Ia and Formula Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, which are DGAT2 inhibitors. Also provided are methods of making compounds of Formula I, Formula Ia and Formula Ib, pharmaceutical compositions comprising compounds of Formula I, Formula Ia and Formula Ib, and methods of using these compounds to treat hepatic steatosis, nonalcoholic steatohepatitis (NASH), hepatic fibrosis, type-2 diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, atherosclerosis, cognitive decline, dementia, cardiorenal diseases such as chronic kidney diseases and heart failure and related diseases and conditions, comprising administering a compound of Formula I, Ia and Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, to a patient in need thereof.

  公开号：

  WO2024118858A1
• 作为产物：
  描述：

  2-苯并噁唑羧酸乙酯 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 5-甲氧基-2-苯并恶唑羧酸
  参考文献：
  名称：

  PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS

  摘要：

  Provided are compounds of Formula I, Formula Ia and Formula Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, which are DGAT2 inhibitors. Also provided are methods of making compounds of Formula I, Formula Ia and Formula Ib, pharmaceutical compositions comprising compounds of Formula I, Formula Ia and Formula Ib, and methods of using these compounds to treat hepatic steatosis, nonalcoholic steatohepatitis (NASH), hepatic fibrosis, type-2 diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, atherosclerosis, cognitive decline, dementia, cardiorenal diseases such as chronic kidney diseases and heart failure and related diseases and conditions, comprising administering a compound of Formula I, Ia and Ib and the pharmaceutically acceptable salts, esters, and prodrugs thereof, to a patient in need thereof.

  公开号：

  WO2024118858A1