N-piperidin-4-ylcycloheptanecarboxamide | 1249384-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-piperidin-4-ylcycloheptanecarboxamide
• CAS: 1249384-92-6
• 化学式: C₁₃H₂₄N₂O
• 分子量: 224.346
• InChiKey: KHTVXWYJEMDXLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4,6-三甲基苯磺酰氯 、 N-piperidin-4-ylcycloheptanecarboxamide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以85%的产率得到N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]cycloheptanecarboxamide
  参考文献：
  名称：

  Design, synthesis and evaluation of non-urea inhibitors of soluble epoxide hydrolase

  摘要：

  Inhibition of soluble epoxide hydrolase (sEH) has been proposed as a new pharmaceutical approach for treating hypertension and vascular inflammation. The most potent sEH inhibitors reported in literature to date are urea derivatives. However, these compounds have limited pharmacokinetic profiles. We investigated non-urea amide derivatives as sEH inhibitors and identified a potent human sEH inhibitor 14-34 having potency comparable to urea-based inhibitors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.10.074
• 作为产物：
  描述：

  环庚甲酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 N-piperidin-4-ylcycloheptanecarboxamide
  参考文献：
  名称：

  Design, synthesis and evaluation of non-urea inhibitors of soluble epoxide hydrolase

  摘要：

  Inhibition of soluble epoxide hydrolase (sEH) has been proposed as a new pharmaceutical approach for treating hypertension and vascular inflammation. The most potent sEH inhibitors reported in literature to date are urea derivatives. However, these compounds have limited pharmacokinetic profiles. We investigated non-urea amide derivatives as sEH inhibitors and identified a potent human sEH inhibitor 14-34 having potency comparable to urea-based inhibitors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.10.074

文献信息

• HtrA Inhibitors and CagA Inhibitors and Use Thereof
  申请人：PSOMAGEN INC.

  公开号：US20220122691A1

  公开（公告）日：2022-04-21

  The present application relates to new HtrA inhibitors and use thereof. Additionally, the present application also relates to new peptides for inhibiting CagA and use thereof.