{4-[6-(2-aminomethylpyrimidin-4-yl)pyridin-2-yl]pyrimidin-2-ylmethyl}carbamic acid 9H-fluoren-9-ylmethyl ester | 691898-85-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: {4-[6-(2-aminomethylpyrimidin-4-yl)pyridin-2-yl]pyrimidin-2-ylmethyl}carbamic acid 9H-fluoren-9-ylmethyl ester
• 英文别名: 9H-fluoren-9-ylmethyl N-[[4-[6-[2-(aminomethyl)pyrimidin-4-yl]pyridin-2-yl]pyrimidin-2-yl]methyl]carbamate
• CAS: 691898-85-8
• 化学式: C₃₀H₂₅N₇O₂
• 分子量: 515.574
• InChiKey: YIUWMLMUOLVCCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Fmoc-O-叔丁基-L-苏氨酸 、 Fmoc-L-蛋氨酸 、 Succinic acid mono-(9H-fluoren-9-ylmethyl) ester 、 {4-[6-(2-aminomethylpyrimidin-4-yl)pyridin-2-yl]pyrimidin-2-ylmethyl}carbamic acid 9H-fluoren-9-ylmethyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (2S)-6-amino-2-[[2-[[(2S)-2-[[4-[[4-[6-[2-[[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]methyl]pyrimidin-4-yl]pyridin-2-yl]pyrimidin-2-yl]methylamino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]hexanoic acid
  参考文献：
  名称：

  通过预筛选可提高差异受体阵列的辨别能力，这是速激肽和类似肽的分析证明。

  摘要：

  DOI：

  10.1002/anie.200701236
• 作为产物：
  描述：

  [4-(6-{2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyrimidin-4-yl}pyridin-2-yl)pyrimidin-2-ylmethyl]carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以90%的产率得到{4-[6-(2-aminomethylpyrimidin-4-yl)pyridin-2-yl]pyrimidin-2-ylmethyl}carbamic acid 9H-fluoren-9-ylmethyl ester
  参考文献：
  名称：

  Cooperative Metal-Coordination and Ion Pairing in Tripeptide Recognition

  摘要：

  The recognition of tripeptides by a metal-centered receptor consisting of a rigid backbone region and variable tripeptide arms is described. The studies showed that the receptor was selective for L-Xxx-L-Lys-L-Lys, with Xxx = His, Cys, and Met, giving association constants near 1.0 x 10(5) M-1. Binding enhancement through cooperative interactions of the peptidic arms is demonstrated.

  DOI：

  10.1021/ol036441f

文献信息

• The Discriminatory Power of Differential Receptor Arrays Is Improved by Prescreening—A Demonstration in the Analysis of Tachykinins and Similar Peptides
  作者：Aaron T. Wright、Nicola Y. Edwards、Eric V. Anslyn、John T. McDevitt

  DOI：10.1002/anie.200701236

  日期：2007.11.5
• Cooperative Metal-Coordination and Ion Pairing in Tripeptide Recognition
  作者：Aaron T. Wright、Eric V. Anslyn

  DOI：10.1021/ol036441f

  日期：2004.4.1

  The recognition of tripeptides by a metal-centered receptor consisting of a rigid backbone region and variable tripeptide arms is described. The studies showed that the receptor was selective for L-Xxx-L-Lys-L-Lys, with Xxx = His, Cys, and Met, giving association constants near 1.0 x 10(5) M-1. Binding enhancement through cooperative interactions of the peptidic arms is demonstrated.