Ethyl 3-(2-chloro-6-fluorophenyl)-2-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate | 1609173-38-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ethyl 3-(2-chloro-6-fluorophenyl)-2-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
• CAS: 1609173-38-7
• 化学式: C₂₄H₂₁ClFN₃O₄S
• 分子量: 501.966
• InChiKey: JUNXVGUJIMNTOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  99
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(4-methylsulfonylphenyl)-1H-pyrazol-5-amine 、 C₁₆H₁₉ClFNO₃ 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 Ethyl 3-(2-chloro-6-fluorophenyl)-2-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
  参考文献：
  名称：

  Discovery of structurally novel, potent and orally efficacious GPR119 agonists

  摘要：

  Screening hit 5 was identified in a biochemical screen for GPR119 agonists. Compound 5 was structurally novel, displayed modest biochemical activity and no oral exposure, but was structurally distinct from typical GPR119 agonist scaffolds. Systematic optimization led to compound 36 with significantly improved in vitro activity and oral exposure, to elevate GLP1 acutely in an in vivo mouse model at a dose of 10 mg/kg. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.023

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS POUVANT SERVIR DE MODULATEURS DE L'ACTIVITÉ DU GPR119
  申请人：IRM LLC

  公开号：WO2011014520A2

  公开（公告）日：2011-02-03

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of GPR119.