| 1443740-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1443740-20-2
• 化学式: C₁₈H₂₀N₄O₂S
• 分子量: 356.448
• InChiKey: KKCGRPNNGPQXLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.9
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 水 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 5-(butan-2-yl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes

  摘要：

  GPR142 is a G protein-coupled receptor that is predominantly expressed in pancreatic beta-cells. GPR142 agonists stimulate insulin secretion in the presence of high glucose concentration, so that they could be novel insulin secretagogues with reduced or no risk of hypoglycemia. We report here the optimization of HTS hit compound 1 toward a proof of concept compound 33, which showed potent glucose lowering effects during an oral glucose tolerance test in mice and monkeys.

  DOI：

  10.1021/ml400186z
• 作为产物：
  描述：

  2,4-二氯-5-甲基嘧啶 在 吡啶 、 四(三苯基膦)钯 、 potassium carbonate 、 溶剂黄146 、 肼 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 反应 25.0h， 生成
  参考文献：
  名称：

  Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes

  摘要：

  GPR142 is a G protein-coupled receptor that is predominantly expressed in pancreatic beta-cells. GPR142 agonists stimulate insulin secretion in the presence of high glucose concentration, so that they could be novel insulin secretagogues with reduced or no risk of hypoglycemia. We report here the optimization of HTS hit compound 1 toward a proof of concept compound 33, which showed potent glucose lowering effects during an oral glucose tolerance test in mice and monkeys.

  DOI：

  10.1021/ml400186z