| 1425544-51-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1425544-51-9
• 化学式: C₄₉H₅₃ClO₉
• 分子量: 821.407
• InChiKey: JOJQKIXNXMULTF-WXOBWUEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.25
• 重原子数：
  59.0
• 可旋转键数：
  21.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  94.07
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Novel macrocyclic C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents

  摘要：

  Novel macrocyclic C-aryl glucoside SGLT2 inhibitors were designed and synthesized. Two different synthetic routes of macrocyclization were adopted to prepare novel ansa SGLT2 inhibitors. Among the compounds tested, [1,7]dioxacyclopentadecine macrocycles possessing methylthiophenyl at the distal ring 40 or ethoxyphenyl at the distal ring 23 showed the best in vitro inhibitory activity in this series to date (40, IC50 = 0.778 nM and 23, IC50 = 0.899 nM) against hSGLT2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.045
• 作为产物：
  描述：

  ((2R,3R,4R,5S,6S)-6-(2-(allyloxy)-4-chloro-5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)phenyl)-3,4,5-tris(benzyloxy)tetrahydro-2H-pyran-2-yl)methanol 在 四丁基氟化铵 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Novel macrocyclic C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents

  摘要：

  Novel macrocyclic C-aryl glucoside SGLT2 inhibitors were designed and synthesized. Two different synthetic routes of macrocyclization were adopted to prepare novel ansa SGLT2 inhibitors. Among the compounds tested, [1,7]dioxacyclopentadecine macrocycles possessing methylthiophenyl at the distal ring 40 or ethoxyphenyl at the distal ring 23 showed the best in vitro inhibitory activity in this series to date (40, IC50 = 0.778 nM and 23, IC50 = 0.899 nM) against hSGLT2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.045