2-(2-methoxy-4-methoxycarbonyl-phenoxy)acetic acid | 95046-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-methoxy-4-methoxycarbonyl-phenoxy)acetic acid
• 英文别名: Carboxymethyl-vanillinsaeure-metylester；4-Carboxymethoxy-3-methoxy-benzoic acid methyl ester；2-(2-methoxy-4-methoxycarbonylphenoxy)acetic acid
• CAS: 95046-98-3
• 化学式: C₁₁H₁₂O₆
• 分子量: 240.213
• InChiKey: KNECNYNCUWLYSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-methoxy-4-methoxycarbonyl-phenoxy)acetic acid 在 一水合肼 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-(hydrazinecarbonyl)-2-methoxy-phenoxy]-N-isopropyl-acetamide
  参考文献：
  名称：

  [EN] ROCK2 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE ROCK2 ET LEURS UTILISATIONS

  摘要：

  The present disclosure provides compounds of Formula (I) and (II), which may be R0CK2 inhibitors. The present disclosure also provides pharmaceutical compositions and kits comprising the compounds, and methods of treating or preventing diseases and disorders associated with R0CK2 (e.g., fibrotic disease, autoimmune disease, inflammatory-fibrotic condition, inflammatory condition, edema, ophthalmic disease, cardiovascular disease, central nervous system disorder, cancer) by administering to a subject in need thereof the compounds or pharmaceutical compositions.

  公开号：

  WO2023009475A1
• 作为产物：
  描述：

  香草酸甲酯 在 盐酸 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 生成 2-(2-methoxy-4-methoxycarbonyl-phenoxy)acetic acid
  参考文献：
  名称：

  [EN] ROCK2 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE ROCK2 ET LEURS UTILISATIONS

  摘要：

  The present disclosure provides compounds of Formula (I) and (II), which may be R0CK2 inhibitors. The present disclosure also provides pharmaceutical compositions and kits comprising the compounds, and methods of treating or preventing diseases and disorders associated with R0CK2 (e.g., fibrotic disease, autoimmune disease, inflammatory-fibrotic condition, inflammatory condition, edema, ophthalmic disease, cardiovascular disease, central nervous system disorder, cancer) by administering to a subject in need thereof the compounds or pharmaceutical compositions.

  公开号：

  WO2023009475A1