(2R,3S,6S,8aS)-6-benzyl-2-methyl-5-oxo-hexahydro-oxazolo[3,2-a]pyrazine-3-carboxylic acid methyl ester | 1259403-66-1

• 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: (2R,3S,6S,8aS)-6-benzyl-2-methyl-5-oxo-hexahydro-oxazolo[3,2-a]pyrazine-3-carboxylic acid methyl ester
• 英文别名: methyl (2R,3S,6S,8aS)-6-benzyl-2-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazine-3-carboxylate
• CAS: 1259403-66-1
• 化学式: C₁₆H₂₀N₂O₄
• 分子量: 304.346
• InChiKey: WTJFQZWNFBCNFZ-SAXRGWBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 二乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 (2R,3S,6S,8aS)-6-benzyl-2-methyl-5-oxo-hexahydro-oxazolo[3,2-a]pyrazine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Skeletal diversity by sequential one-pot and stepwise routes using morpholine ester scaffolds

  摘要：

  A skeletal diversity approach starting from morpholine acetals has been achieved by tuning a three-step process from stepwise to sequential one-pot to provide diverse scaffolds containing either a 2-oxopiperazine or a diketopiperazine skeleton. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.103

文献信息

• Chemical genetics approach to identify new small molecule modulators of cell growth by phenotypic screening of Saccharomyces cerevisiae strains with a library of morpholine-derived compounds
  作者：Andrea Trabocchi、Irene Stefanini、Manfredi Morvillo、Leonardo Ciofi、Duccio Cavalieri、Antonio Guarna

  DOI：10.1039/c0ob00357c

  日期：——

  with a pool of morpholine-derived compounds in order to identify candidate small molecules able to produce phenotypic effects on yeast cells. The analysis of the effects of structurally diverse molecules towards cell growth rate in both exponential and stationary phases provides a tool to select candidate compounds for subsequent assays to identify new chemical entities as chemical probes for drug discovery

  化学遗传学方法已用于筛选具有吗啉衍生化合物库的酵母缺失菌株，以鉴定能够在酵母细胞上产生表型效应的候选小分子。对不同结构的分子对指数期和固定期细胞生长速率的影响的分析提供了一种工具，可以选择候选化合物进行后续测定，以鉴定新的化学实体作为药物发现的化学探针。
• Skeletal diversity by sequential one-pot and stepwise routes using morpholine ester scaffolds
  作者：Leonardo Ciofi、Manfredi Morvillo、Filippo Sladojevich、Antonio Guarna、Andrea Trabocchi

  DOI：10.1016/j.tetlet.2010.09.103

  日期：2010.12

  A skeletal diversity approach starting from morpholine acetals has been achieved by tuning a three-step process from stepwise to sequential one-pot to provide diverse scaffolds containing either a 2-oxopiperazine or a diketopiperazine skeleton. (C) 2010 Elsevier Ltd. All rights reserved.