(S)-2-tert-Butoxycarbonylamino-3-{4-[2-(4-hydroxy-phenyl)-ethoxy]-3,5-diiodo-phenyl}-propionic acid methyl ester | 178666-09-6

• 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-tert-Butoxycarbonylamino-3-{4-[2-(4-hydroxy-phenyl)-ethoxy]-3,5-diiodo-phenyl}-propionic acid methyl ester
• CAS: 178666-09-6
• 化学式: C₂₃H₂₇I₂NO₆
• 分子量: 667.279
• InChiKey: OUUAPLXWDOFMCJ-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  32.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  94.09
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-2-tert-Butoxycarbonylamino-3-{4-[2-(4-hydroxy-phenyl)-ethoxy]-3,5-diiodo-phenyl}-propionic acid methyl ester 在 lithium hydroxide 、 三氟乙酸 作用下， 生成 (2S)-2-amino-3-[4-[2-(4-hydroxyphenyl)ethoxy]-3,5-diiodophenyl]propanoic acid
  参考文献：
  名称：

  Synthesis and SAR of diiodotyrosine-derived glycine-site N-methyl-D-aspartate receptor ligands

  摘要：

  A series of analogues of the novel diiodotyrosine derived NMDA glycine-site ligand (R)-4 was prepared in which the aryl substitution, chain length and amino acid groups were varied. The key structural features for binding are the alpha-amino acid function, having the (R) absolute stereochemistry, the 3,5-diiodo substituted aromatic ring and a lipophilic group attached at the phenolic oxygen of the tyrosine moiety. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00187-4
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 氯化亚砜 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-2-tert-Butoxycarbonylamino-3-{4-[2-(4-hydroxy-phenyl)-ethoxy]-3,5-diiodo-phenyl}-propionic acid methyl ester
  参考文献：
  名称：

  Synthesis and SAR of diiodotyrosine-derived glycine-site N-methyl-D-aspartate receptor ligands

  摘要：

  A series of analogues of the novel diiodotyrosine derived NMDA glycine-site ligand (R)-4 was prepared in which the aryl substitution, chain length and amino acid groups were varied. The key structural features for binding are the alpha-amino acid function, having the (R) absolute stereochemistry, the 3,5-diiodo substituted aromatic ring and a lipophilic group attached at the phenolic oxygen of the tyrosine moiety. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00187-4