1-thiaspiro[2.6]nonane | 880135-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-thiaspiro[2.6]nonane
• CAS: 880135-33-1
• 化学式: C₈H₁₄S
• 分子量: 142.265
• InChiKey: BMIZNEAEKGWUFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-thiaspiro[2.6]nonane 在 甲酸 、 氨 、 双氧水 、 silver nitrate 作用下， 以 甲醇 为溶剂， 反应 47.0h， 生成 1-aminomethylcycloheptane-1-sulfonic acid
  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：

  1-氧杂螺[2.6]壬烷 在 potassium thioacyanate 作用下， 以69%的产率得到1-thiaspiro[2.6]nonane
  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

文献信息

• BOUDA, H.;BORREDON, M. E.;DELMAS, M.;GASET, A., SYNTH. COMMUN., 19,(1989) N-4, C. 491-500
  作者：BOUDA, H.、BORREDON, M. E.、DELMAS, M.、GASET, A.

  DOI：——

  日期：——