Se-2-phenylethylisoselenourea

• 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: Se-2-phenylethylisoselenourea
• 英文别名: PEISe；S-2-phenylethylisoselenourea；Phenaethylisoselen-harnstoff；2-Phenylethyl carbamimidoselenoate
• 化学式: C₉H₁₂N₂Se
• 分子量: 227.168
• InChiKey: OSLYFAXKLCBMGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  硒脲 、 乙基溴苯 以 乙醇 为溶剂， 以80%的产率得到Se-2-phenylethylisoselenourea
  参考文献：
  名称：

  Synthesis and characterization of a novel iNOS/Akt inhibitor Se,Se′-1,4-phenylenebis(1,2-ethanediyl)bisisoselenourea (PBISe)—against colon cancer

  摘要：

  Our studies demonstrate that substitution of sulfur with selenium in known iNOS inhibitor increases the compound's potency by several folds in variety of different cancers cell lines tested. Hence, this approach may be used as a strategy to increase the efficacy of the anticancer agents. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.09.071

文献信息

• Synthesis and characterization of a novel iNOS/Akt inhibitor Se,Se′-1,4-phenylenebis(1,2-ethanediyl)bisisoselenourea (PBISe)—against colon cancer
  作者：Dhimant Desai、SubbaRao V. Madhunapantula、Krishnegowda Gowdahalli、Arati Sharma、Raghavendragowda Chandagaludoreswamy、Karam El-Bayoumy、Gavin P. Robertson、Shantu Amin

  DOI：10.1016/j.bmcl.2009.09.071

  日期：2010.3

  Our studies demonstrate that substitution of sulfur with selenium in known iNOS inhibitor increases the compound's potency by several folds in variety of different cancers cell lines tested. Hence, this approach may be used as a strategy to increase the efficacy of the anticancer agents. (C) 2010 Published by Elsevier Ltd.