Boc-Leu(4R-5-Pr)-N(Me)Leu-OMe | 298196-63-1

• 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: Boc-Leu(4R-5-Pr)-N(Me)Leu-OMe
• 英文别名: methyl (2S)-4-methyl-2-[methyl-[(2S,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoyl]amino]pentanoate
• CAS: 298196-63-1
• 化学式: C₂₂H₄₂N₂O₅
• 分子量: 414.586
• InChiKey: KEQUDEVLRHXQAQ-SQNIBIBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  29
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Boc-Leu(4R-5-Pr)-N(Me)Leu-OMe 在 2,6-二甲基吡啶 、 盐酸 、 lithium hydroxide 、 N-羟基-7-氮杂苯并三氮唑 、 碳酸氢钠 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙酸乙酯 为溶剂， 生成 Boc-D-Abu(CN)-Leu(4R-5-Pr)-N(Me)Leu-Leu-N(Me)Trp(OMe)-Leu(4R-5-Pr)-N(Me)Ala-OMe
  参考文献：
  名称：

  Synthesis and evaluation of Aza HUN-7293

  摘要：

  The aza analogue of the cyclic heptadepsipeptide HUN-7293 (1), which is a potent naturally occurring inhibitor of inducible cell adhesion molecule expression, and its C-2(3) (MLEU3 C-2) epimer were prepared via solution-phase synthesis. Biological evaluations of these two compounds as inhibitors of cell adhesion molecules expression are detailed. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00336-x
• 作为产物：
  描述：

  methyl methyl-L-leucinate hydrochloride 、 N-Boc-PrLeu 在 N-羟基-7-氮杂苯并三氮唑 、 碳酸氢钠 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以74%的产率得到Boc-Leu(4R-5-Pr)-N(Me)Leu-OMe
  参考文献：
  名称：

  Synthesis and evaluation of Aza HUN-7293

  摘要：

  The aza analogue of the cyclic heptadepsipeptide HUN-7293 (1), which is a potent naturally occurring inhibitor of inducible cell adhesion molecule expression, and its C-2(3) (MLEU3 C-2) epimer were prepared via solution-phase synthesis. Biological evaluations of these two compounds as inhibitors of cell adhesion molecules expression are detailed. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00336-x

文献信息

• Synthesis and evaluation of Aza HUN-7293
  作者：Dale L. Boger、Yan Chen、Carolyn A. Foster

  DOI：10.1016/s0960-894x(00)00336-x

  日期：2000.8

  The aza analogue of the cyclic heptadepsipeptide HUN-7293 (1), which is a potent naturally occurring inhibitor of inducible cell adhesion molecule expression, and its C-2(3) (MLEU3 C-2) epimer were prepared via solution-phase synthesis. Biological evaluations of these two compounds as inhibitors of cell adhesion molecules expression are detailed. (C) 2000 Elsevier Science Ltd. All rights reserved.