| 1057092-60-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• CAS: 1057092-60-0
• 化学式: C₁₂H₁₄N₄O₂
• 分子量: 246.269
• InChiKey: GIAARZVGCSHSBD-UQDQQJHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.79
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 苄氧羰基-色氨酰-色氨酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以20 mg的产率得到benzyl N-[(2S)-1-[[(2S)-1-[[(1E,2S)-1-(2,4-dioxoimidazolidin-1-yl)imino-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
  参考文献：
  名称：

  Proteasome inhibition by peptide-semicarbazones

  摘要：

  Peptide-semicarbazones derived from Z-Trp-Trp-Phe-aldehyde inhibit the chymotryptic activity of the human proteasome at nanomolar concentrations, but are less active in a NF kappa B reporter gene assay. Cyclic semicarbazones, in contrast, combine a strong inhibitory effect on the enzyme with an inhibition of NF kappa B signaling in the nanomolar range. In addition, a practical synthesis for scale-up of such compounds was developed. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.042
• 作为产物：
  描述：

  [1-benzyl-2-(2,4-dioxo-imidazolin-1-ylimino)-ethyl]-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以0.8 g的产率得到
  参考文献：
  名称：

  Proteasome inhibition by peptide-semicarbazones

  摘要：

  Peptide-semicarbazones derived from Z-Trp-Trp-Phe-aldehyde inhibit the chymotryptic activity of the human proteasome at nanomolar concentrations, but are less active in a NF kappa B reporter gene assay. Cyclic semicarbazones, in contrast, combine a strong inhibitory effect on the enzyme with an inhibition of NF kappa B signaling in the nanomolar range. In addition, a practical synthesis for scale-up of such compounds was developed. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.042