Boc-aMePhe-Tyr(3-OH)-OH | 1454906-93-4

• 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-aMePhe-Tyr(3-OH)-OH
• 英文别名: (2S)-3-(3,4-dihydroxyphenyl)-2-[[(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoic acid
• CAS: 1454906-93-4
• 化学式: C₂₄H₃₀N₂O₇
• 分子量: 458.511
• InChiKey: MRKMKIBZKSUSCZ-XDHUDOTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  145
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Boc-aMePhe-Tyr(3-OH)-OH 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 (S)-1-[(S)-1-Carboxy-2-(3,4-dihydroxyphenyl)-ethylcarbamoyl]-1-methyl-2-phenylethylammonium 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 盐酸 、 5%-palladium/activated carbon 、 氢气 、 1-羟基苯并三唑 、 1,2-二氯乙烷 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 Boc-aMePhe-Tyr(3-OH)-OH
  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

文献信息

• Design, synthesis and biological evaluation of peptide derivatives of l-dopa as anti-parkinsonian agents
  作者：Tao Zhou、Robert C. Hider、Peter Jenner、Bruce Campbell、Christopher J. Hobbs、Sarah Rose、Mark Jairaj、Kayhan A. Tayarani-Binazir、Alexander Syme

  DOI：10.1016/j.bmcl.2013.08.007

  日期：2013.10

  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.