Boc-D-Abu(CN)-Leu(4R-5-Pr)-N(Me)Leu-Leu-N(Me)Trp(OMe)-Leu(4R-5-Pr)-N(Me)Ala-OMe | 298196-68-6

• 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-D-Abu(CN)-Leu(4R-5-Pr)-N(Me)Leu-Leu-N(Me)Trp(OMe)-Leu(4R-5-Pr)-N(Me)Ala-OMe
• 英文别名: methyl (2S)-2-[[(2S,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,4R)-2-[[(2R)-4-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-methyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]-methylamino]-3-(1-methoxyindol-3-yl)propanoyl]amino]-4-methyloctanoyl]-methylamino]propanoate
• CAS: 298196-68-6
• 化学式: C₅₉H₉₇N₉O₁₁
• 分子量: 1108.47
• InChiKey: IFQVFOIJKACJEM-QMOMHFETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  79
• 可旋转键数：
  36
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  251
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  Boc-D-Abu(CN)-Leu(4R-5-Pr)-N(Me)Leu-Leu-N(Me)Trp(OMe)-Leu(4R-5-Pr)-N(Me)Ala-OMe 在 盐酸 、 lithium hydroxide 作用下， 以 乙酸乙酯 为溶剂， 生成
  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：

  谷氨酰胺 在 吡啶 、 2,6-二甲基吡啶 、 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 、 N,N'-二环己基碳二亚胺 作用下， 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

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.