2-trimethylsilylethyl (2S)-7-[formyl(phenylmethoxy)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate | 669091-40-1

• 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: 2-trimethylsilylethyl (2S)-7-[formyl(phenylmethoxy)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
• CAS: 669091-40-1
• 化学式: C₂₅H₄₂N₂O₆Si
• 分子量: 494.704
• InChiKey: KCRDFOONKZGLMF-QFIPXVFZSA-N

物化性质

• 密度：
  1.062±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  34
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-trimethylsilylethyl (2S)-7-[formyl(phenylmethoxy)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate 在 四丁基氟化铵 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-Benzyloxy-N-{5-[(6S,9R,12S,14aS)-6-((S)-sec-butyl)-9-(4-methoxy-benzyl)-5,8,11,14-tetraoxo-tetradecahydro-4a,7,10,13-tetraaza-benzocyclododecen-12-yl]-pentyl}-formamide
  参考文献：
  名称：

  Synthesis and histone deacetylase inhibitory activity of cyclic tetrapeptides containing a retrohydroxamate as zinc ligand

  摘要：

  Cyclic tetrapeptide retrohydroxamic acids were prepared as historic deacetylase (HDAC) inhibitors and evaluated the inhibitory activity and found that they have potential as anticancer drugs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.018
• 作为产物：
  描述：

  2-Acetylamino-7-benzyloxyamino-heptanoic acid tert-butyl ester 在 4-二甲氨基吡啶 、 acylase 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 生成 2-trimethylsilylethyl (2S)-7-[formyl(phenylmethoxy)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
  参考文献：
  名称：

  Synthesis and histone deacetylase inhibitory activity of cyclic tetrapeptides containing a retrohydroxamate as zinc ligand

  摘要：

  Cyclic tetrapeptide retrohydroxamic acids were prepared as historic deacetylase (HDAC) inhibitors and evaluated the inhibitory activity and found that they have potential as anticancer drugs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.018

文献信息

• Synthesis of l-α-amino-ω-bromoalkanoic acid for side chain modification
  作者：Louis A. Watanabe、Binoy Jose、Tamaki Kato、Norikazu Nishino、Minoru Yoshida

  DOI：10.1016/j.tetlet.2003.11.007

  日期：2004.1

  l-α-Amino-ω-bromoalkanoic acids with side chain lengths varying from 4 to 10 methylene units have been conveniently synthesized as useful intermediates for the synthesis of functionalized non-natural amino acids.

  侧链长度在4至10个亚甲基单元之间变化的1-α-氨基-ω-溴链烷酸已经方便地合成为有用的中间体，用于合成官能化的非天然氨基酸。
• Synthesis and histone deacetylase inhibitory activity of cyclic tetrapeptides containing a retrohydroxamate as zinc ligand
  作者：Norikazu Nishino、Daisuke Yoshikawa、Louis A. Watanabe、Tamaki Kato、Binoy Jose、Yasuhiko Komatsu、Yuko Sumida、Minoru Yoshida

  DOI：10.1016/j.bmcl.2004.03.018

  日期：2004.5

  Cyclic tetrapeptide retrohydroxamic acids were prepared as historic deacetylase (HDAC) inhibitors and evaluated the inhibitory activity and found that they have potential as anticancer drugs. (C) 2004 Elsevier Ltd. All rights reserved.