diethyl 2-benzamido-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate | 328540-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: diethyl 2-benzamido-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate
• 英文别名: diethyl 2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
• CAS: 328540-77-8
• 化学式: C₂₀H₂₂N₂O₅S
• mdl: MFCD01176960
• 分子量: 402.471
• InChiKey: IKOGWMHZPQSXBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-乙氧羰基-4-哌啶酮 在 吗啉 、 sulfur 、 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 生成 diethyl 2-benzamido-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate
  参考文献：
  名称：

  Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2

  摘要：

  PDE4 inhibitors have been identified as therapeutic targets for a variety of conditions, particularly inflammatory diseases. We have serendipitously identified a novel class of phosphodiesterase 4 (PDE4) inhibitor during a study to discover antagonists of the parathyroid hormone receptor. X-ray crystallographic studies of PDE4D2 complexed to four potent inhibitors reveal the atomic details of how they inhibit the enzyme and a notable contrast to another recently reported thiophene-based inhibitor. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.109

文献信息

• Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2
  作者：Jacob L. Nankervis、Susanne C. Feil、Nancy C. Hancock、Zhaohua Zheng、Hooi-Ling Ng、Craig J. Morton、Jessica K. Holien、Patricia W.M. Ho、Mark M. Frazzetto、Ian G. Jennings、David T. Manallack、T. John Martin、Philip E. Thompson、Michael W. Parker

  DOI：10.1016/j.bmcl.2011.09.109

  日期：2011.12

  PDE4 inhibitors have been identified as therapeutic targets for a variety of conditions, particularly inflammatory diseases. We have serendipitously identified a novel class of phosphodiesterase 4 (PDE4) inhibitor during a study to discover antagonists of the parathyroid hormone receptor. X-ray crystallographic studies of PDE4D2 complexed to four potent inhibitors reveal the atomic details of how they inhibit the enzyme and a notable contrast to another recently reported thiophene-based inhibitor. (C) 2011 Elsevier Ltd. All rights reserved.