(S)-2-((R)-6-Oxo-1,7-diaza-spiro[4.4]non-7-yl)-pentanedioic acid dibenzyl ester | 900159-05-9

• 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: (S)-2-((R)-6-Oxo-1,7-diaza-spiro[4.4]non-7-yl)-pentanedioic acid dibenzyl ester
• CAS: 900159-05-9
• 化学式: C₂₆H₃₀N₂O₅
• 分子量: 450.535
• InChiKey: PTPWNAHKHRULDK-BKMJKUGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  84.94
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-2-((R)-6-Oxo-1,7-diaza-spiro[4.4]non-7-yl)-pentanedioic acid dibenzyl ester 在 palladium on activated charcoal N-羟基-7-氮杂苯并三氮唑 、 氢气 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.75h， 生成 (2S,5'R)-2-[1'-(2''-amino-acetyl)-6'-oxo-1',7'-diazaspiro[4.4]non-7'-yl]-pentanedioate
  参考文献：
  名称：

  The neuroprotective activity of GPE tripeptide analogues does not correlate with glutamate receptor binding affinity

  摘要：

  The influence of several modifications on the GPE tripeptide structure upon the binding to GluRs and on their neuroprotective effects has been studied. The results indicated that the prevention of neuronal death showed by GPE and some analogues is not directly related to their affinity at glutamate receptors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.033
• 作为产物：
  描述：

  dibenzyl (2S)-2-[(5R)-6-oxo-1,7-diazaspiro[4.4]nonane-7-yl]-1,5-pentanedioate trifluoroacetate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 生成 (S)-2-((R)-6-Oxo-1,7-diaza-spiro[4.4]non-7-yl)-pentanedioic acid dibenzyl ester
  参考文献：
  名称：

  The neuroprotective activity of GPE tripeptide analogues does not correlate with glutamate receptor binding affinity

  摘要：

  The influence of several modifications on the GPE tripeptide structure upon the binding to GluRs and on their neuroprotective effects has been studied. The results indicated that the prevention of neuronal death showed by GPE and some analogues is not directly related to their affinity at glutamate receptors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.033