N-{3-[4-(6-isopropoxypyridin-3-yloxy)cyclohexyl]-1-methylpropyl}acetamide | 1257244-05-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-{3-[4-(6-isopropoxypyridin-3-yloxy)cyclohexyl]-1-methylpropyl}acetamide
• CAS: 1257244-05-5
• 化学式: C₂₀H₃₂N₂O₃
• 分子量: 348.486
• InChiKey: BGSSITZNPKHFTP-SZMVWBNQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  60.45
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-{3-[4-(6-isopropoxypyridin-3-yloxy)cyclohexyl]-1-methylpropyl}acetamide 以 甲醇 、 正庚烷 、 异丙醇 为溶剂， 生成 N-{3-[4-(6-isopropoxypyridin-3-yloxy)cyclohexyl]-1-methylpropyl}acetamide
  参考文献：
  名称：

  Identification and Synthesis of Novel Inhibitors of Acetyl-CoA Carboxylase with in Vitro and in Vivo Efficacy on Fat Oxidation

  摘要：

  Acetyl CoA carboxylase isoforms 1 and 2 (ACC1/2) are key enzymes of fat utilization and their inhibition is considered to improve aspects of the metabolic syndrome. To identify pharmacological inhibitors of ACC1/2, a high throughput screen was performed which resulted in the identification of the lead compound 3 (Gargazanli, G.; Lardenois, P.; Frost, J.; George, P. Patent WO9855474 A1, 1998) as a moderate selective ACC2 inhibitor. Optimization of 3 led to 4m (Zoller, G.; Schmoll, D.; Mueller, M.; Haschke, G.; Focken, I. Patent WO2010003624 A2, 2010) as a submicromolar dual ACC1/2 inhibitor of the rat and human isoforms. 4m possessed favorable pharmacokinetic parameters. This compound stimulated fat oxidation in vivo and reduced plasma triglyceride levels in a rodent model after subchronic administration. 4m is a suitable tool compound for the elucidation of the pharmacological potential of ACC1/2 inhibition.

  DOI：

  10.1021/jm101179e

文献信息

• [EN] MONOCYCLIC COMPOUND<br/>[FR] COMPOSÉ MONOCYCLIQUE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2012108478A1

  公开（公告）日：2012-08-16

  　本発明は、式（Ｉ）：［式中、各記号は明細書記載のとおり］ で表される化合物またはその塩である。