N,N'-bis<2'-(t-butoxycarbonyl)-(1'R,2'R)-diaminocyclohexyl>isophthalamide | 213765-35-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-bis<2'-(t-butoxycarbonyl)-(1'R,2'R)-diaminocyclohexyl>isophthalamide
• 英文别名: tert-butyl N-[(1R,2R)-2-[[3-[[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]benzoyl]amino]cyclohexyl]carbamate
• CAS: 213765-35-6
• 化学式: C₃₀H₄₆N₄O₆
• 分子量: 558.718
• InChiKey: SNUSBESBJOVHDI-MOUTVQLLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis<2'-(t-butoxycarbonyl)-(1'R,2'R)-diaminocyclohexyl>isophthalamide 在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 21.5h， 生成 (41R,42R,101R,102R)-15-(aminomethyl)-3,5,9,11-tetraaza-1,7(1,3)-dibenzena-4,10(1,2)-dicyclohexanacyclododecaphane-2,6,8,12-tetraone
  参考文献：
  名称：

  Stereoselective Recognition of Tripeptides Guided by Encoded Library Screening:  Construction of Chiral Macrocyclic Tetraamide Ruthenium Receptor for Peptide Sensing

  摘要：

  [GRAPHICS]Molecule sensor 1 is devised by incorporating the reporting unit of ruthenium(II) complex and two recognition motifs of chiral cyclotetraamides on the sidearms. The target binding tripeptides for sensor 1 were readily identified by using an encoded library screening method. This solid-phase screening indicated a preferable binding of molecule 1 with D-alanine over the L-isomer. The optical and NMR studies for the binding events of 1 with tripeptides Ac-Ala-Gly-Ala-NHC12H25 in the solution phase showed a consistent trend for the stereoselective recognition of the DD-isomer over the LD-, DL-, and LL-isomers.

  DOI：

  10.1021/jo048368s
• 作为产物：
  描述：

  {[(tert-butoxycarbonyl)oxy]amino}(phenyl)acetonitrile 在 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 4.67h， 生成 N,N'-bis<2'-(t-butoxycarbonyl)-(1'R,2'R)-diaminocyclohexyl>isophthalamide
  参考文献：
  名称：

  Hu, Kejiang; Bradshaw, Jerald S.; Dalley, N.Kent, Journal of Heterocyclic Chemistry, 1999, vol. 36, # 2, p. 381 - 388

  摘要：

  DOI：

文献信息

• Stereoselective Recognition of Tripeptides Guided by Encoded Library Screening:  Construction of Chiral Macrocyclic Tetraamide Ruthenium Receptor for Peptide Sensing
  作者：Kuei-Hua Chang、Jen-Hai Liao、Chao-Tsen Chen、Barun K. Mehta、Pi-Tai Chou、Jim-Min Fang

  DOI：10.1021/jo048368s

  日期：2005.3.1

  [GRAPHICS]Molecule sensor 1 is devised by incorporating the reporting unit of ruthenium(II) complex and two recognition motifs of chiral cyclotetraamides on the sidearms. The target binding tripeptides for sensor 1 were readily identified by using an encoded library screening method. This solid-phase screening indicated a preferable binding of molecule 1 with D-alanine over the L-isomer. The optical and NMR studies for the binding events of 1 with tripeptides Ac-Ala-Gly-Ala-NHC12H25 in the solution phase showed a consistent trend for the stereoselective recognition of the DD-isomer over the LD-, DL-, and LL-isomers.
• Hu, Kejiang; Bradshaw, Jerald S.; Dalley, N.Kent, Journal of Heterocyclic Chemistry, 1999, vol. 36, # 2, p. 381 - 388
  作者：Hu, Kejiang、Bradshaw, Jerald S.、Dalley, N.Kent、Krakowiak, Krzysztof E.、Wu, Naijun、Lee,Milton L.

  DOI：——

  日期：——