1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide | 1203059-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
• CAS: 1203059-11-3
• 化学式: C₂₃H₂₅N₃O₃S
• 分子量: 423.536
• InChiKey: GETSWMPUPCSSFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-哌啶甲酸甲酯 在 4-二甲氨基吡啶 、 水 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 72.0h， 生成 1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
  参考文献：
  名称：

  Synthesis and structure–activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors

  摘要：

  A series of potent amide non-urea inhibitors of soluble epoxide hydrolase (sEH) is disclosed. The inhibition of soluble epoxide hydrolase leads to elevated levels of epoxyeicosatrienoic acids (EETs), and thus inhibitors of sEH represent one of a novel approach to the development of vasodilatory and anti-inflammatory drugs. Structure-activities studies guided optimization of a lead compound, identified through high-throughput screening, gave rise to sub-nanomolar inhibitors of human sEH with stability in human liver microsomal assay suitable for preclinical development. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.11.084

文献信息

• Synthesis and structure–activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors
  作者：Stevan Pecic、Svetlana Pakhomova、Marcia E. Newcomer、Christophe Morisseau、Bruce D. Hammock、Zhengxiang Zhu、Alison Rinderspacher、Shi-Xian Deng

  DOI：10.1016/j.bmcl.2012.11.084

  日期：2013.1

  A series of potent amide non-urea inhibitors of soluble epoxide hydrolase (sEH) is disclosed. The inhibition of soluble epoxide hydrolase leads to elevated levels of epoxyeicosatrienoic acids (EETs), and thus inhibitors of sEH represent one of a novel approach to the development of vasodilatory and anti-inflammatory drugs. Structure-activities studies guided optimization of a lead compound, identified through high-throughput screening, gave rise to sub-nanomolar inhibitors of human sEH with stability in human liver microsomal assay suitable for preclinical development. Published by Elsevier Ltd.