1-Benzyl-1-{3-[4-(tert-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl}-3-phenethyl-thiourea | 634590-66-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-Benzyl-1-{3-[4-(tert-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl}-3-phenethyl-thiourea
• CAS: 634590-66-2
• 化学式: C₃₄H₄₈N₂O₂SSi
• 分子量: 576.919
• InChiKey: HPCUEXMNRPXDSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.41
• 重原子数：
  40.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  33.73
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-Benzyl-1-{3-[4-(tert-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl}-3-phenethyl-thiourea 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 1-Benzyl-1-[1-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-3-(2-phenylethyl)thiourea
  参考文献：
  名称：

  Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists

  摘要：

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00178-1
• 作为产物：
  描述：

  1-[4-[Tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol 在 palladium on activated charcoal 氢气 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 1-Benzyl-1-{3-[4-(tert-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl}-3-phenethyl-thiourea
  参考文献：
  名称：

  Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists

  摘要：

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00178-1