2,2-dibenzylepisulfide | 880135-32-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2,2-dibenzylepisulfide
• 英文别名: 2,2-dibenzylthiirane
• CAS: 880135-32-0
• 化学式: C₁₆H₁₆S
• 分子量: 240.369
• InChiKey: LYSYLXBRSXQJOQ-UHFFFAOYSA-N

物化性质

• 沸点：
  365.5±11.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2,2-dibenzylepisulfide 在 氨 、 silver nitrate 、 盐酸 、 sodium sulfide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 2-Aminomethyl-1,3-diphenyl-propane-2-thiol
  参考文献：
  名称：

  Comprehensive analysis of pathway or functionally related gene expression in the National Cancer Institute's anticancer screen

  摘要：

  We have analyzed the level of gene coregulation, using gene expression patterns measured across the National Cancer Institute's 60 tumor cell panels (NCI60), in the context of predefined pathways or functional categories annotated by KEGG (Kyoto Encyclopedia of Genes and Genomes), BioCarta, and GO (Gene Ontology). Statistical methods were used to evaluate the level of gene expression coherence (coordinated expression) by comparing intra- and interpathway gene-gene correlations. Our results show that gene expression in pathways, or groups of functionally related genes, has a significantly higher level of coherence than that of a randomly selected set of genes. Transcriptional-level gene regulation appears to be on a "need to be" basis, such that pathways comprising genes encoding closely interacting proteins and pathways responsible for vital cellular processes or processes that are related to growth or proliferation, specifically in cancer cells, such as those engaged in genetic information processing, cell cycle, energy metabolism, and nucleotide metabolism, tend to be more modular (lower degree of gene sharing) and to have genes significantly more coherently expressed than most signaling and regular metabolic pathways. Hierarchical clustering of pathways based on their differential gene expression in the NCI60 further revealed interesting interpathway communications or interactions indicative of a higher level of pathway regulation. The knowledge of the nature of gene expression regulation and biological pathways can be applied to understanding the mechanism by which small drug molecules interfere with biological systems. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.ygeno.2005.11.011
• 作为产物：
  描述：

  二苄基甲酮 在 potassium thioacyanate 、 sodium hydride 作用下， 生成 2,2-dibenzylepisulfide
  参考文献：
  名称：

  Comprehensive analysis of pathway or functionally related gene expression in the National Cancer Institute's anticancer screen

  摘要：

  We have analyzed the level of gene coregulation, using gene expression patterns measured across the National Cancer Institute's 60 tumor cell panels (NCI60), in the context of predefined pathways or functional categories annotated by KEGG (Kyoto Encyclopedia of Genes and Genomes), BioCarta, and GO (Gene Ontology). Statistical methods were used to evaluate the level of gene expression coherence (coordinated expression) by comparing intra- and interpathway gene-gene correlations. Our results show that gene expression in pathways, or groups of functionally related genes, has a significantly higher level of coherence than that of a randomly selected set of genes. Transcriptional-level gene regulation appears to be on a "need to be" basis, such that pathways comprising genes encoding closely interacting proteins and pathways responsible for vital cellular processes or processes that are related to growth or proliferation, specifically in cancer cells, such as those engaged in genetic information processing, cell cycle, energy metabolism, and nucleotide metabolism, tend to be more modular (lower degree of gene sharing) and to have genes significantly more coherently expressed than most signaling and regular metabolic pathways. Hierarchical clustering of pathways based on their differential gene expression in the NCI60 further revealed interesting interpathway communications or interactions indicative of a higher level of pathway regulation. The knowledge of the nature of gene expression regulation and biological pathways can be applied to understanding the mechanism by which small drug molecules interfere with biological systems. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.ygeno.2005.11.011