(2,5-Dioxopyrrolidin-1-yl) 3-[3-[5-[(4-methoxyphenyl)methoxy]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoate | 1208866-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2,5-Dioxopyrrolidin-1-yl) 3-[3-[5-[(4-methoxyphenyl)methoxy]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoate
• CAS: 1208866-75-4
• 化学式: C₂₄H₂₄N₄O₇
• 分子量: 480.477
• InChiKey: FBWMOOFPEKOQGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (2,5-Dioxopyrrolidin-1-yl) 3-[3-[5-[(4-methoxyphenyl)methoxy]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoate 在 氨 、 水 作用下， 以 1,4-二氧六环 为溶剂， 以13.2 g的产率得到3-[3-[5-[(4-Methoxyphenyl)methoxy]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanamide
  参考文献：
  名称：

  Discovery of a Biaryl Cyclohexene Carboxylic Acid (MK-6892): A Potent and Selective High Affinity Niacin Receptor Full Agonist with Reduced Flushing Profiles in Animals as a Preclinical Candidate

  摘要：

  Biaryl cyclohexene carboxylic acids were discovered as full and potent niacin receptor (GPR109A) agonists. Compound le (MK-6892) displayed excellent receptor activity, good PK across species, remarkably clean off-target profiles, good ancillary pharmacology, and superior therapeutic window over niacin regarding the FFA reduction versus vasodilation in rats and dogs.

  DOI：

  10.1021/jm100022r
• 作为产物：
  描述：

  N-羟基丁二酰亚胺 、 3-(3-(5-((4-甲氧基苄基)氧基)吡啶-2-基)-1,2,4-噁二唑-5-基)-2,2-二甲基丙酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 (2,5-Dioxopyrrolidin-1-yl) 3-[3-[5-[(4-methoxyphenyl)methoxy]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoate
  参考文献：
  名称：

  Discovery of a Biaryl Cyclohexene Carboxylic Acid (MK-6892): A Potent and Selective High Affinity Niacin Receptor Full Agonist with Reduced Flushing Profiles in Animals as a Preclinical Candidate

  摘要：

  Biaryl cyclohexene carboxylic acids were discovered as full and potent niacin receptor (GPR109A) agonists. Compound le (MK-6892) displayed excellent receptor activity, good PK across species, remarkably clean off-target profiles, good ancillary pharmacology, and superior therapeutic window over niacin regarding the FFA reduction versus vasodilation in rats and dogs.

  DOI：

  10.1021/jm100022r