1-Benzhydryl-3-ethylurea | 1386836-00-5

• 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-Benzhydryl-3-ethylurea
• CAS: 1386836-00-5
• 化学式: C₁₆H₁₈N₂O
• 分子量: 254.332
• InChiKey: RWMZKNVLUQWOHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Benzhydryl-3-ethylurea 、 N-(氯甲酰)异氰酸酯 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  1,2,4-Oxadiazolidin-3,5-diones and 1,3,5-triazin-2,4,6-triones as cytosolic phospholipase A2α inhibitors

  摘要：

  1,2,4-Oxadiazolidiin-3,5-dione and 1,3,5-triazin-2,4,6-trione scaffolds were employed as templates to incorporate the pharmacophore requirements of cytosolic phospholipase A(2)alpha Substrate mimetics. Inhibitors that are active in both enzyme, and cell-based assays were identified from both classes. From the SAR work carried out and modeling efforts around these templates, the triazinetrione scaffold with an additional substitution point was found to be more favorable. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.067
• 作为产物：
  描述：

  异氰酸乙酯 、 二苯甲胺 以 二氯甲烷 为溶剂， 生成 1-Benzhydryl-3-ethylurea
  参考文献：
  名称：

  1,2,4-Oxadiazolidin-3,5-diones and 1,3,5-triazin-2,4,6-triones as cytosolic phospholipase A2α inhibitors

  摘要：

  1,2,4-Oxadiazolidiin-3,5-dione and 1,3,5-triazin-2,4,6-trione scaffolds were employed as templates to incorporate the pharmacophore requirements of cytosolic phospholipase A(2)alpha Substrate mimetics. Inhibitors that are active in both enzyme, and cell-based assays were identified from both classes. From the SAR work carried out and modeling efforts around these templates, the triazinetrione scaffold with an additional substitution point was found to be more favorable. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.067

文献信息

• US7662910B2
  申请人：——

  公开号：US7662910B2

  公开（公告）日：2010-02-16