(2S)-N-(2-methoxy-5-pyridin-4-ylpyridin-3-yl)-3-phenyl-2-(pyrimidin-2-ylmethylamino)propanamide | 1401460-40-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-N-(2-methoxy-5-pyridin-4-ylpyridin-3-yl)-3-phenyl-2-(pyrimidin-2-ylmethylamino)propanamide
• CAS: 1401460-40-9
• 化学式: C₂₅H₂₄N₆O₂
• 分子量: 440.505
• InChiKey: YYVYAYQUQAITOJ-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2S)-N-(2-methoxy-5-pyridin-4-ylpyridin-3-yl)-3-phenyl-2-(pyrimidin-2-ylmethylamino)propanamide 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 生成 (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyrimidin-2-ylmethylamino)propanamide
  参考文献：
  名称：

  Phenylalanine derivatives as GPR142 agonists for the treatment of Type II diabetes

  摘要：

  GPR142 is a novel GPCR that is predominantly expressed in pancreatic beta-cells. GPR142 agonists potentiate glucose-dependent insulin secretion, and therefore can reduce the risk of hypoglycemia. Optimization of our lead pyridinone-phenylalanine series led to a proof-of-concept compound 22, which showed in vivo efficacy in mice with dose-dependent increase in insulin secretion and a decrease in glucose levels. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.015
• 作为产物：
  描述：

  3-氨基-5-溴-2-甲氧基吡啶 在 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 3.0h， 生成 (2S)-N-(2-methoxy-5-pyridin-4-ylpyridin-3-yl)-3-phenyl-2-(pyrimidin-2-ylmethylamino)propanamide
  参考文献：
  名称：

  Phenylalanine derivatives as GPR142 agonists for the treatment of Type II diabetes

  摘要：

  GPR142 is a novel GPCR that is predominantly expressed in pancreatic beta-cells. GPR142 agonists potentiate glucose-dependent insulin secretion, and therefore can reduce the risk of hypoglycemia. Optimization of our lead pyridinone-phenylalanine series led to a proof-of-concept compound 22, which showed in vivo efficacy in mice with dose-dependent increase in insulin secretion and a decrease in glucose levels. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.015