tert-butyl 2-(((2S)-3-acetoxy-1-cyclopropyl-4-((2-methoxy-2-oxoethyl)amino)-4-oxobutan-2-yl)carbamoyl)-2-(cyclopropylmethyl)hydrazine-1-carboxylate | 881902-49-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2-(((2S)-3-acetoxy-1-cyclopropyl-4-((2-methoxy-2-oxoethyl)amino)-4-oxobutan-2-yl)carbamoyl)-2-(cyclopropylmethyl)hydrazine-1-carboxylate
• CAS: 881902-49-4
• 化学式: C₂₂H₃₆N₄O₈
• 分子量: 484.55
• InChiKey: GRCJAJSODZXTIH-ATNAJCNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  152.37
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(((2S)-3-acetoxy-1-cyclopropyl-4-((2-methoxy-2-oxoethyl)amino)-4-oxobutan-2-yl)carbamoyl)-2-(cyclopropylmethyl)hydrazine-1-carboxylate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以77%的产率得到((3S)-3-(2-(tert-butoxycarbonyl)-1-(cyclopropylmethyl)hydrazine-1-carboxamido)-4-cyclopropyl-2-hydroxybutanoyl)glycine
  参考文献：
  名称：

  Depeptidization efforts on α-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity

  摘要：

  Depeptidization efforts of the P-3-P-2 region of P-3 capped alpha-ketoamide inhibitor of HCV NS3 serine protease I are reported. We clearly established that N-methylation of the P-2 nitrogen and modification of the P-2' carboxylic acid terminus were essential for activity in the replicon assay. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.013
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 tert-butyl 2-(((2S)-3-acetoxy-1-cyclopropyl-4-((2-methoxy-2-oxoethyl)amino)-4-oxobutan-2-yl)carbamoyl)-2-(cyclopropylmethyl)hydrazine-1-carboxylate
  参考文献：
  名称：

  Depeptidization efforts on α-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity

  摘要：

  Depeptidization efforts of the P-3-P-2 region of P-3 capped alpha-ketoamide inhibitor of HCV NS3 serine protease I are reported. We clearly established that N-methylation of the P-2 nitrogen and modification of the P-2' carboxylic acid terminus were essential for activity in the replicon assay. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.013