1-Benzyl-1-methylthiiran | 57662-69-8

• 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-Benzyl-1-methylthiiran
• 英文别名: 2-Benzyl-2-methylthiirane
• CAS: 57662-69-8
• 化学式: C₁₀H₁₂S
• 分子量: 164.271
• InChiKey: QNMAHXFIIVDYKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 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-Benzyl-1-methylthiiran 在 盐酸 、 甲酸 、 氨 、 双氧水 、 silver nitrate 作用下， 以 甲醇 为溶剂， 反应 47.0h， 生成 1-amino-2-methyl-3-(2-chlorophenyl)propane-2-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：

  2-benzyl-2-methyloxirane 在 potassium thioacyanate 作用下， 生成 1-Benzyl-1-methylthiiran
  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

• Tripeptide epoxy ketone protease inhibitors
  申请人：Onyx Therapeutics, Inc.

  公开号：US11078233B2

  公开（公告）日：2021-08-03

  Provided herein are tripeptide epoxy ketone protease inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula (X): and pharmaceutically acceptable salts and compositions including the same. The compounds and compositions provided herein may be used, for example, in the treatment of diseases including inflammation and neurodegenerative disease.

  本文提供了三肽环氧酮蛋白酶抑制剂、其制备方法、相关药物组合物以及使用方法。例如，本文提供了式 (X) 的化合物： 和药学上可接受的盐以及包括它们的组合物。本文提供的化合物和组合物可用于治疗包括炎症和神经退行性疾病在内的各种疾病。
• Sila-Riechstoffe und Riechstoffe-Isostere. 11. Mitt. Vergleich von Carbinolen und Silanolen mit Thiocarbinolen und Silanthiolen
  作者：Ulrich Wannagat、Volker Damrath、Andreas Schliephake、Ulrich Harder

  DOI：10.1007/bf00809228

  日期：——
• MEYERS A. I.; FORD M. E., TETRAHEDRON LETT. <TELE-AY>, 1975, NO 33, 2861-2864
  作者：MEYERS A. I.、 FORD M. E.

  DOI：——

  日期：——
• MEYERS A. I.; FORD M. E., J. ORG. CHEM. <JOCE-AH>, 1976, 41, NO 10, 1735-1742
  作者：MEYERS A. I.、 FORD M. E.

  DOI：——

  日期：——
• TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS
  申请人：Onyx Therapeutics, Inc.

  公开号：US20200207809A1

  公开（公告）日：2020-07-02

  Provided herein are tripeptide epoxy ketone protease inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula (X): and pharmaceutically acceptable salts and compositions including the same. The compounds and compositions provided herein may be used, for example, in the treatment of diseases including inflammation and neurodegenerative disease.