tert-butyl N-[[4-[2-[2,6-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-4-yl]oxyethoxy]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-2-yl]methyl]carbamate | 926293-60-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl N-[[4-[2-[2,6-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-4-yl]oxyethoxy]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-2-yl]methyl]carbamate
• CAS: 926293-60-9
• 化学式: C₃₆H₅₆N₆O₁₀
• 分子量: 732.875
• InChiKey: CBMIGWAWRYDZIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  52
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  198
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[[4-[2-[2,6-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-4-yl]oxyethoxy]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-2-yl]methyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以100%的产率得到
  参考文献：
  名称：

  来自非生物骨架的蛋白形物体。

  摘要：

  DOI：

  10.1002/anie.200603390
• 作为产物：
  描述：

  2,6-bis((tert-butyloxycarbonylamino)methyl)-4-benzyloxypyridine 在 钯 偶氮二甲酸二异丙酯 、 氢气 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 乙酸乙酯 为溶剂， 反应 24.0h， 生成 tert-butyl N-[[4-[2-[2,6-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-4-yl]oxyethoxy]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-2-yl]methyl]carbamate
  参考文献：
  名称：

  来自非生物骨架的蛋白形物体。

  摘要：

  DOI：

  10.1002/anie.200603390

文献信息

• Proteomorphous Objects from Abiotic Backbones
  作者：Nicolas Delsuc、Jean-Michel Léger、Stéphane Massip、Ivan Huc

  DOI：10.1002/anie.200603390

  日期：2007.1
• Relative Helix−Helix Conformations in Branched Aromatic Oligoamide Foldamers
  作者：Nicolas Delsuc、Stéphane Massip、Jean-Michel Léger、Brice Kauffmann、Ivan Huc

  DOI：10.1021/ja110677a

  日期：2011.3.9

  The de novo design and synthesis of large and well-organized, tertiary-like, alpha-peptidic folded architectures is difficult because it relies on multiple cooperative interactions within and between secondary folded motifs of relatively weak intrinsic stability. The very stable helical structures of oligoamides of 8-amino-2-quinoline carboxylic acid offer a way to circumvent this difficulty thanks to their ability to fold into predictable and stable secondary motifs. Branched architectures comprised of, two pairs of tetrameric (1), pentameric (2), or octameric (3) oligomers connected via an ethylene glycol spacer were designed and synthesized. The short spacer holds two helices in close proximity, thus enabling interactions between them. Degrees of freedom allowed in the system are well-defined: the relative P or M handedness of the two helices; the relative orientation of the helix axes; and the gauche or anti conformation of the ethylene spacer. Investigating the structures of 1-3 in the solid state and in solution allowed a detailed picture to be drawn of their conformational preferences and dynamics. The high variability of the solid state structures provides many snapshots of possible solution conformations. Helix-helix handedness communication was evidenced and shown to depend both on solvent and on a defined set of side chains at the helix-helix interface. Interdigitation of the side chains was found to restrict free rotation about the ethylene spacer. One solid state structure shows a high level of symmetry and provides a firm basis to further design specific side chain/side chain directional interactions.