ethyl 6-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(E)-N'-nitrocarbamimidoyl]piperidin-2-yl]oxyhexanoate | 241146-46-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 6-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(E)-N'-nitrocarbamimidoyl]piperidin-2-yl]oxyhexanoate
• CAS: 241146-46-3
• 化学式: C₁₉H₃₅N₅O₇
• 分子量: 445.516
• InChiKey: BVQYMJIMNVXRLD-LBAUFKAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  31
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 6-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(E)-N'-nitrocarbamimidoyl]piperidin-2-yl]oxyhexanoate 在 palladium on activated charcoal lithium hydroxide 、 sodium hydroxide 、 氢气 作用下， 以 乙醇 、 水 、 溶剂黄146 、 乙腈 为溶剂， 生成 6-((S)-1-{[(E)-Allyloxycarbonylimino]-amino-methyl}-3-tert-butoxycarbonylamino-piperidin-2-yloxy)-hexanoic acid
  参考文献：
  名称：

  Novel protocol for the solid-phase synthesis of peptidyl and peptidomimetic P1-argininal derivatives

  摘要：

  The design, synthesis and application of novel argininal aminals 1 tethered onto AM resin is described. Efficient solid-phase synthesis routes to a wide array of the title derivatives 2 have been implemented using this convenient technology. The resulting P-1-argininal targets serve as useful exploratory scaffolds for serine and cysteine protease inhibitor discovery. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00870-9
• 作为产物：
  描述：

  阿加曲班杂质3 在 盐酸 、 potassium hydrogensulfate 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 生成 ethyl 6-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(E)-N'-nitrocarbamimidoyl]piperidin-2-yl]oxyhexanoate
  参考文献：
  名称：

  Novel protocol for the solid-phase synthesis of peptidyl and peptidomimetic P1-argininal derivatives

  摘要：

  The design, synthesis and application of novel argininal aminals 1 tethered onto AM resin is described. Efficient solid-phase synthesis routes to a wide array of the title derivatives 2 have been implemented using this convenient technology. The resulting P-1-argininal targets serve as useful exploratory scaffolds for serine and cysteine protease inhibitor discovery. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00870-9

文献信息

• Novel protocol for the solid-phase synthesis of peptidyl and peptidomimetic P1-argininal derivatives
  作者：Daniel V. Siev、John A. Gaudette、J.Edward Semple

  DOI：10.1016/s0040-4039(99)00870-9

  日期：1999.7

  The design, synthesis and application of novel argininal aminals 1 tethered onto AM resin is described. Efficient solid-phase synthesis routes to a wide array of the title derivatives 2 have been implemented using this convenient technology. The resulting P-1-argininal targets serve as useful exploratory scaffolds for serine and cysteine protease inhibitor discovery. (C) 1999 Elsevier Science Ltd. All rights reserved.