1-[4-(Morpholine-4-carbonyl)-phenyl]-3-phenyl-urea

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[4-(Morpholine-4-carbonyl)-phenyl]-3-phenyl-urea
• 英文别名: 1-[4-(Morpholine-4-carbonyl)phenyl]-3-phenylurea
• 化学式: C₁₈H₁₉N₃O₃
• 分子量: 325.367
• InChiKey: AJFZQQYWAWELBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸苯酯 、 4-氨基苯基吗啉-4-基甲酮 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1-[4-(Morpholine-4-carbonyl)-phenyl]-3-phenyl-urea
  参考文献：
  名称：

  Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase

  摘要：

  The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N'-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.074

文献信息

• SOLUBLE EPOXIDE HYDROLASE INHIBITORS
  申请人：Gless D. Richard

  公开号：US20080032978A1

  公开（公告）日：2008-02-07

  Disclosed are urea and thiourea compounds and compositions that inhibit soluble epoxide hydrolase (sEH), methods for preparing the compounds and compositions, and methods for treating patients with such compounds and compositions. The compounds, compositions, and methods are useful for treating a variety of sEH mediated diseases, including hypertensive, cardiovascular, inflammatory, and diabetes-related diseases.

  本发明涉及尿素和硫脲化合物以及抑制可溶性环氧水解酶（sEH）的组合物，制备这些化合物和组合物的方法，以及使用这些化合物和组合物治疗患者的方法。这些化合物、组合物和方法可用于治疗各种sEH介导的疾病，包括高血压、心血管、炎症和与糖尿病相关的疾病。
• [EN] SOLUBLE EPOXIDE HYDROLASE INHIBITORS<br/>[FR] INHIBITEURS D'ÉPOXYDE HYDROLASE SOLUBLE
  申请人：ARETE THERAPEUTICS INC

  公开号：WO2008016884A2

  公开（公告）日：2008-02-07

  [EN] Disclosed are urea and thiourea compounds and compositions that inhibit soluble epoxide hydrolase (sEH), methods for preparing the compounds and compositions, and methods for treating patients with such compounds and compositions. The compounds, compositions, and methods are useful for treating a variety of sEH mediated diseases, including hypertensive, cardiovascular, inflammatory, and diabetes-related diseases.
  [FR] L'invention concerne des composés urée et thiourée et des compositions pour inhiber l'époxyde hydrolase soluble (sEH), des procédés de préparation des composés et compositions, et des procédés de traitement de patients avec de tels composés et compositions. Les composés, compositions et procédés sont utiles pour traiter une série de maladies à médiation sEH, y compris l'hypertension, les maladies cardiovasculaires, inflammatoires et associées au diabète.
• Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase
  作者：Sampath-Kumar Anandan、Richard D. Gless

  DOI：10.1016/j.bmcl.2010.03.074

  日期：2010.5

  The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N'-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment. (C) 2010 Elsevier Ltd. All rights reserved.