benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate | 186961-76-2

• 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: benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• CAS: 186961-76-2
• 化学式: C₃₁H₄₄N₄O₆
• 分子量: 568.714
• InChiKey: NJOMAUHUMKJZLS-QKDODKLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  41
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate 在 lithium aluminium tetrahydride 作用下， 生成 N-benzyloxycarbonyl-leucyl-leucyl-phenylalanal
  参考文献：
  名称：

  Peptide inhibitors of IKB protease: Modification of the C-termini of Z-LLF-CHO

  摘要：

  A series of tripeptides (Z-LLF-R) with various modifications at their C-terminus were synthesized and evaluated for their ability to prevent the activation of NF-kappa B through inhibition of I kappa B protease. Of the compounds evaluated only the C-terminal aldehydes 5a,b were active in our Jurkat T-cell based assay. Compound 5a also decreased IL-2 and IL-8 levels in these cells indicating that inhibitors of I kappa B protease can have an effect on various signaling pathways. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00559-8
• 作为产物：
  描述：

  BOC-PHE-甲氧基甲胺 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 生成 benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
  参考文献：
  名称：

  Peptide inhibitors of IKB protease: Modification of the C-termini of Z-LLF-CHO

  摘要：

  A series of tripeptides (Z-LLF-R) with various modifications at their C-terminus were synthesized and evaluated for their ability to prevent the activation of NF-kappa B through inhibition of I kappa B protease. Of the compounds evaluated only the C-terminal aldehydes 5a,b were active in our Jurkat T-cell based assay. Compound 5a also decreased IL-2 and IL-8 levels in these cells indicating that inhibitors of I kappa B protease can have an effect on various signaling pathways. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00559-8

文献信息

• Peptide inhibitors of IKB protease: Modification of the C-termini of Z-LLF-CHO
  作者：Mark J. Suto、Robert W. Sullivan、Lynn J. Ransone

  DOI：10.1016/s0960-894x(96)00559-8

  日期：1996.12

  A series of tripeptides (Z-LLF-R) with various modifications at their C-terminus were synthesized and evaluated for their ability to prevent the activation of NF-kappa B through inhibition of I kappa B protease. Of the compounds evaluated only the C-terminal aldehydes 5a,b were active in our Jurkat T-cell based assay. Compound 5a also decreased IL-2 and IL-8 levels in these cells indicating that inhibitors of I kappa B protease can have an effect on various signaling pathways. Copyright (C) 1996 Elsevier Science Ltd