Methyl 6-(2-oxopropyl)-5-phenylmethoxypyridine-3-carboxylate | 1415110-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methyl 6-(2-oxopropyl)-5-phenylmethoxypyridine-3-carboxylate
• 英文别名: methyl 6-(2-oxopropyl)-5-phenylmethoxypyridine-3-carboxylate
• CAS: 1415110-11-0
• 化学式: C₁₇H₁₇NO₄
• 分子量: 299.326
• InChiKey: UEAOMLXJCMUHSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 6-(2-oxopropyl)-5-phenylmethoxypyridine-3-carboxylate 在 盐酸 、 ammonium hydroxide 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 methyl 6-(2-hydroxyiminopropyl)-5-phenylmethoxypyridine-3-carboxylate
  参考文献：
  名称：

  The design and synthesis of indazole and pyrazolopyridine based glucokinase activators for the treatment of Type 2 diabetes mellitus

  摘要：

  Glucokinase activators represent a promising potential treatment for patients with Type 2 diabetes. Herein, we report the identification and optimization of a series of novel indazole and pyrazolopyridine based activators leading to the identification of 4-(6-(azetidine-1-carbonyl)-5-fluoropyridin-3-yloxy)-2-ethyl-N-(5-methylpyrazin-2-yl)-2H-indazole-6-carboxamide (42) as a potent activator with favorable preclinical pharmacokinetic properties and in vivo efficacy. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.082
• 作为产物：
  描述：

  5-羟基烟酸甲酯 在 sodium hypochlorite 、 Methoxytripropylstannan 、 sodium hydride 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 水 、 甲苯 为溶剂， 反应 17.67h， 生成 Methyl 6-(2-oxopropyl)-5-phenylmethoxypyridine-3-carboxylate
  参考文献：
  名称：

  The design and synthesis of indazole and pyrazolopyridine based glucokinase activators for the treatment of Type 2 diabetes mellitus

  摘要：

  Glucokinase activators represent a promising potential treatment for patients with Type 2 diabetes. Herein, we report the identification and optimization of a series of novel indazole and pyrazolopyridine based activators leading to the identification of 4-(6-(azetidine-1-carbonyl)-5-fluoropyridin-3-yloxy)-2-ethyl-N-(5-methylpyrazin-2-yl)-2H-indazole-6-carboxamide (42) as a potent activator with favorable preclinical pharmacokinetic properties and in vivo efficacy. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.082