tert-Butyl-[1-(4-ethynyl-thiophen-2-yl)-2-methyl-propoxy]-dimethyl-silane | 859809-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: tert-Butyl-[1-(4-ethynyl-thiophen-2-yl)-2-methyl-propoxy]-dimethyl-silane
• CAS: 859809-15-7
• 化学式: C₁₆H₂₆OSSi
• 分子量: 294.533
• InChiKey: RNISKAZGXNNRJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  tert-Butyl-[1-(4-ethynyl-thiophen-2-yl)-2-methyl-propoxy]-dimethyl-silane 在 copper(l) iodide 、 dichloropalladium bis(di-isopropylphosphino)ferrocene 、 四丁基氟化铵 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基乙酰胺 为溶剂， 生成 5-[5-(1-Hydroxy-2-methyl-propyl)-thiophen-3-ylethynyl]-2-ureido-thiophene-3-carboxylic acid amide
  参考文献：
  名称：

  Inhibition of IKK-2 by 2-[(aminocarbonyl)amino]-5-acetylenyl-3-thiophenecarboxamides

  摘要：

  A series of 21 novel 2-[(aminocarbonyl)amino]-5-acetylenyl-3-thiophenecarboxamides were synthesized and evaluated for the inhibition of IKK-2. In spite of their often modest activity on the enzyme, six selected analogs showed significant inhibition of the production of inflammatory cytokine IL-8 in IL-1 beta stimulated rheumatoid arthritis-derived synovial fibroblasts, demonstrating their potential usefulness as NF-kappa B regulators. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.090
• 作为产物：
  描述：

  2-[1-(tert-Butyl-dimethyl-silanyloxy)-2-methyl-propyl]-4-trimethylsilanylethynyl-thiophene 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 tert-Butyl-[1-(4-ethynyl-thiophen-2-yl)-2-methyl-propoxy]-dimethyl-silane
  参考文献：
  名称：

  Inhibition of IKK-2 by 2-[(aminocarbonyl)amino]-5-acetylenyl-3-thiophenecarboxamides

  摘要：

  A series of 21 novel 2-[(aminocarbonyl)amino]-5-acetylenyl-3-thiophenecarboxamides were synthesized and evaluated for the inhibition of IKK-2. In spite of their often modest activity on the enzyme, six selected analogs showed significant inhibition of the production of inflammatory cytokine IL-8 in IL-1 beta stimulated rheumatoid arthritis-derived synovial fibroblasts, demonstrating their potential usefulness as NF-kappa B regulators. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.090