4-吡啶甲酰胺,N-(3,3-二苯基丙基)- | 102318-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-吡啶甲酰胺,N-(3,3-二苯基丙基)-
• 英文名称: N-(3,3-diphenyl-propyl)isonicotinamide
• 英文别名: isonicotinic acid-(3,3-diphenyl-propylamide)；Isonicotinsaeure-(3,3-diphenyl-propylamid)；N-(3,3-Diphenyl-propyl)-isonicotinamide；N-(3,3-diphenylpropyl)pyridine-4-carboxamide
• CAS: 102318-13-8
• 化学式: C₂₁H₂₀N₂O
• 分子量: 316.403
• InChiKey: FNZXNCPUNGHMCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  552.3±45.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异烟酸 、 3,3-二苯基丙胺 生成 4-吡啶甲酰胺,N-(3,3-二苯基丙基)-
  参考文献：
  名称：

  US2843594

  摘要：

  公开号：

文献信息

• Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same
  申请人：Cywin Lawrence Charles

  公开号：US20060276515A1

  公开（公告）日：2006-12-07

  Disclosed are compounds active against soluble epoxide hydrolase (sEH), compositions thereof and methods of using and making same.

  揭示了对可溶性环氧化物酶（sEH）具有活性的化合物，以及其组合物和使用和制备这些化合物的方法。
• US2843594
  申请人：——

  公开号：——

  公开（公告）日：——
• Structure-Based Optimization of Arylamides as Inhibitors of Soluble Epoxide Hydrolase
  作者：Anne B. Eldrup、Fariba Soleymanzadeh、Steven J. Taylor、Ingo Muegge、Neil A. Farrow、David Joseph、Keith McKellop、Chuk C. Man、Alison Kukulka、Stéphane De Lombaert

  DOI：10.1021/jm9005302

  日期：2009.10.8

  Inhibition of soluble epoxide hydrolase (sEH) is hypothesized to lead to an increase in circulating levels of epoxyeicosatrienoic acids, resulting in the potentiation of their in vivo pharmacological properties. As part of all effort to identify inhibitors of sEH with high and sustained plasma exposure, we recently performed a high throughput screen of our compound collection, The screen identified N-(3,3-diphenylpropyl)-nicotinamide as a potent inhibitor of sEH. Further profiling of this lead revealed short metabolic half-lives in microsomes and rapid clearance in the rat. Consistent with these observations, the determination of the in vitro metabolic profile of N-(3,3-diphenyl-propyl)-nicotinamide in rat liver microsomes revealed extensive oxidative metabolism and a propensity for metabolite switching. Lead optimization, guided by the analysis of the solid-state costructure of N-(3,3-diphenyl-propyl)-nicotinamide bound to human sEH, led to the identification of a class of potent and selective inhibitors. An inhibitor from this class displayed an attractive in vitro metabolic profile and high and sustained plasma exposure in the rat after oral administration.