Boc-Aib-Tyr(3-OH)-OMe | 946089-58-3

• 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: Boc-Aib-Tyr(3-OH)-OMe
• 英文别名: methyl (2S)-3-(3,4-dihydroxyphenyl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
• CAS: 946089-58-3
• 化学式: C₁₉H₂₈N₂O₇
• 分子量: 396.441
• InChiKey: BGDODSNZMKDBKF-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Boc-Aib-Tyr(3-OH)-OMe 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-[(S)-2-(3,4-dihydroxyphenyl)-1-methoxycarbonylethylcarbamoyl]-1-methyl-ethylammonium chloride
  参考文献：
  名称：

  Design, synthesis and biological evaluation of peptide derivatives of l-dopa as anti-parkinsonian agents

  摘要：

  A series of dipeptide derivatives of L-dopa were synthesized and investigated for their pharmacological activity using the unilaterally 6-hydroxydopamine (6-OHDA)-lesioned rat as an experimental model of Parkinson's disease. Among them, (S)-isopropyl 2-(2-amino-2-methylpropanamido)-3-(3,4-dihydroxyphenyl) propanoate (4g) was found to be the most active compound, with 106% AUC activity and 149% peak activity of L-dopa after oral administration. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.007
• 作为产物：
  描述：

  左旋多巴 在 氯化亚砜 、 1-羟基苯并三唑 、 1,2-二氯乙烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Boc-Aib-Tyr(3-OH)-OMe
  参考文献：
  名称：

  Design, synthesis and biological evaluation of peptide derivatives of l-dopa as anti-parkinsonian agents

  摘要：

  A series of dipeptide derivatives of L-dopa were synthesized and investigated for their pharmacological activity using the unilaterally 6-hydroxydopamine (6-OHDA)-lesioned rat as an experimental model of Parkinson's disease. Among them, (S)-isopropyl 2-(2-amino-2-methylpropanamido)-3-(3,4-dihydroxyphenyl) propanoate (4g) was found to be the most active compound, with 106% AUC activity and 149% peak activity of L-dopa after oral administration. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.007