2-methyl-6-(1-methylbenzimidazol-5-yl)oxy-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one | 1367359-37-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methyl-6-(1-methylbenzimidazol-5-yl)oxy-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
• CAS: 1367359-37-2
• 化学式: C₂₅H₃₀N₆O₂
• 分子量: 446.552
• InChiKey: FRGRMZRHUBDUDQ-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  75.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-氨基-2-氯吡啶-4-羧酸 在 1-羟基苯并三唑 、 caesium carbonate 、 原乙酸三乙酯 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 2-methyl-6-(1-methylbenzimidazol-5-yl)oxy-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
  参考文献：
  名称：

  Substituted azaquinazolinones as modulators of GHSr-1a for the treatment of type II diabetes and obesity

  摘要：

  Substituted azaquinazolinones were identified as antagonists of the GHSr-1A receptor for the treatment of type II diabetes and obesity. Optimisation for potency and LogD lead to the identification of orally bioavailable, potent antagonists with improved selectivity over hERG. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.078

文献信息

• Substituted azaquinazolinones as modulators of GHSr-1a for the treatment of type II diabetes and obesity
  作者：Patrick Hanrahan、James Bell、Gillian Bottomley、Stuart Bradley、Phillip Clarke、Eleanor Curtis、Susan Davis、Graham Dawson、James Horswill、John Keily、Gary Moore、Chrystelle Rasamison、Jason Bloxham

  DOI：10.1016/j.bmcl.2012.01.078

  日期：2012.3

  Substituted azaquinazolinones were identified as antagonists of the GHSr-1A receptor for the treatment of type II diabetes and obesity. Optimisation for potency and LogD lead to the identification of orally bioavailable, potent antagonists with improved selectivity over hERG. (C) 2012 Elsevier Ltd. All rights reserved.