potassium 2-(5-methyloxazol-2-yl)acetate | 2059941-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: potassium 2-(5-methyloxazol-2-yl)acetate
• 英文别名: Potassium 2-(5-methyl-1,3-oxazol-2-yl)acetate；potassium;2-(5-methyl-1,3-oxazol-2-yl)acetate
• CAS: 2059941-95-4
• 化学式: C₆H₆NO₃*K
• 分子量: 179.217
• InChiKey: AQGMGOMYTAMCIM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.72
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 potassium 2-(5-methyloxazol-2-yl)acetate 在 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide
  参考文献：
  名称：

  EP3744721

  摘要：

  公开号：

文献信息

• CONDENSED CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISM
  申请人：Shionogi & Co., Ltd

  公开号：EP3744721A1

  公开（公告）日：2020-12-02

  Novel compounds having a D3 receptor antagonistic effect are provided. The compound represented by Formula (IA)': wherein A is S or O; R1a is substituted or unsubstituted alkyloxy or the like, R2a to R2d are each independently hydrogen atoms or the like, ring B is a 4- to 8-membered non-aromatic carbocycle or the like, R3 is each independently halogen or the like, r is an integer of 0 to 4, R4 is substituted or unsubstituted aromatic heterocyclyl or the like, or a pharmaceutically acceptable salt thereof.

  提供了具有 D3 受体拮抗作用的新型化合物。 由式（IA）'代表的化合物： 其中 A 是 S 或 O；R1a 是取代或未取代的烷氧基或类似物；R2a 至 R2d 各自独立地是氢原子或类似物；环 B 是 4 至 8 元非芳族碳环或类似物；R3 各自独立地是卤素或类似物；r 是 0 至 4 的整数；R4 是取代或未取代的芳族杂环或类似物、 或其药学上可接受的盐。
• CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT
  申请人：Shionogi & Co., Ltd.

  公开号：US20210040117A1

  公开（公告）日：2021-02-11

  Novel compounds having a D3 receptor antagonistic effect are provided. The compound represented by Formula (IA)′: wherein A is S or O; R 1a is substituted or unsubstituted alkyloxy or the like, R 2a to R 2d are each independently hydrogen atoms or the like, ring B is a 4- to 8-membered non-aromatic carbocycle or the like, R 3 is each independently halogen or the like, r is an integer of 0 to 4, R 4 is substituted or unsubstituted aromatic heterocyclyl or the like, or a pharmaceutically acceptable salt thereof.