N-(4-chlorophenyl)-3-(6-methyl-1,3-dioxo-2-propan-2-ylpyrrolo[3,4-c]pyridin-4-yl)oxybenzenesulfonamide | 1531587-74-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-chlorophenyl)-3-(6-methyl-1,3-dioxo-2-propan-2-ylpyrrolo[3,4-c]pyridin-4-yl)oxybenzenesulfonamide
• CAS: 1531587-74-2
• 化学式: C₂₃H₂₀ClN₃O₅S
• 分子量: 485.948
• InChiKey: OZBFVTHSHFZADO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-甲氧基苯磺酰氯 在 吡啶 、 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 N-(4-chlorophenyl)-3-(6-methyl-1,3-dioxo-2-propan-2-ylpyrrolo[3,4-c]pyridin-4-yl)oxybenzenesulfonamide
  参考文献：
  名称：

  Discovery and optimization of N-(3-(1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yloxy)phenyl)benzenesulfonamides as novel GPR119 agonists

  摘要：

  The discovery and optimization of novel N-(3-(1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yloxy)phenyl)benzenesulfonamide GPR119 agonists is described. Modification of the pyridylphthalimide motif of the molecule with R-1 = -Me and R-2 = -Pr-i substituents, incorporated with a 6-fluoro substitution on the central phenyl ring offered a potent and metabolically stable tool compound 22. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.053

文献信息

• Discovery and optimization of N-(3-(1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yloxy)phenyl)benzenesulfonamides as novel GPR119 agonists
  作者：Ming Yu、Jian (Ken) Zhang、Yingcai Wang、Jiang Zhu、Frank Kayser、Julio C. Medina、Karen Siegler、Marion Conn、Bei Shan、Mark P. Grillo、Peter Coward、Jiwen (Jim) Liu

  DOI：10.1016/j.bmcl.2013.11.053

  日期：2014.1

  The discovery and optimization of novel N-(3-(1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yloxy)phenyl)benzenesulfonamide GPR119 agonists is described. Modification of the pyridylphthalimide motif of the molecule with R-1 = -Me and R-2 = -Pr-i substituents, incorporated with a 6-fluoro substitution on the central phenyl ring offered a potent and metabolically stable tool compound 22. (C) 2013 Elsevier Ltd. All rights reserved.