(trimethylsilyl)ethyl (3R,4E)-3-[(R)-2-((S)-2-{2-[(tert-butoxycarbonyl)methyl]thiazol-4-yl}-4-methyl-4,5-dihydrothiazole-4-carboxamido)-3-methylbutanoyloxy]-7-(tritylthio)hept-4-enoate | 1132667-39-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (trimethylsilyl)ethyl (3R,4E)-3-[(R)-2-((S)-2-{2-[(tert-butoxycarbonyl)methyl]thiazol-4-yl}-4-methyl-4,5-dihydrothiazole-4-carboxamido)-3-methylbutanoyloxy]-7-(tritylthio)hept-4-enoate
• 英文别名: (3R,4E)-2-(trimethylsilyl)ethyl 3-[(S)-2-((S)-2-{2-[(tert-butoxycarbonylamino)methyl]thiazol-4-yl}-4-methyl-4,5-dihydrothiazole-4-carboxamido)-3-methylbutanoyloxy]-7-(tritylthio)hept-4-enoate
• CAS: 1132667-39-0
• 化学式: C₅₀H₆₄N₄O₇S₃Si
• 分子量: 957.364
• InChiKey: DVXTWPFWMZDVCO-UZUAAFKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.42
• 重原子数：
  65.0
• 可旋转键数：
  21.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  145.28
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  (trimethylsilyl)ethyl (3R,4E)-3-[(R)-2-((S)-2-{2-[(tert-butoxycarbonyl)methyl]thiazol-4-yl}-4-methyl-4,5-dihydrothiazole-4-carboxamido)-3-methylbutanoyloxy]-7-(tritylthio)hept-4-enoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Histone Deacetylase Inhibitory Activity of Largazole Analogs: Alteration of the Zinc-Binding Domain and Macrocyclic Scaffold

  摘要：

  Fourteen analogs of the marine natural product largazole have been prepared and assayed against histone deacetylases (HDACs) 1, 2, 3, and 6. Olefin cross-metathesis was used to efficiently access six variants of the side-chain zinc-binding domain, while adaptation of our previously reported modular synthesis allowed probing of the macrocyclic cap group.

  DOI：

  10.1021/ol900078k
• 作为产物：
  描述：

  (S)-2-(2-((tert-butoxycarbonylamino)methyl)thiazol-4-yl)-4-methyl-4,5-dihydrothiazole-4-carboxylic acid 、 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以0.12 g的产率得到(trimethylsilyl)ethyl (3R,4E)-3-[(R)-2-((S)-2-{2-[(tert-butoxycarbonyl)methyl]thiazol-4-yl}-4-methyl-4,5-dihydrothiazole-4-carboxamido)-3-methylbutanoyloxy]-7-(tritylthio)hept-4-enoate
  参考文献：
  名称：

  Synthesis and Histone Deacetylase Inhibitory Activity of Largazole Analogs: Alteration of the Zinc-Binding Domain and Macrocyclic Scaffold

  摘要：

  Fourteen analogs of the marine natural product largazole have been prepared and assayed against histone deacetylases (HDACs) 1, 2, 3, and 6. Olefin cross-metathesis was used to efficiently access six variants of the side-chain zinc-binding domain, while adaptation of our previously reported modular synthesis allowed probing of the macrocyclic cap group.

  DOI：

  10.1021/ol900078k