N,N-didemethylzolpidem-N-{2-[3-(p-hydroxyphenyl)]methyl propionate} | 189005-45-6

• 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: N,N-didemethylzolpidem-N-{2-[3-(p-hydroxyphenyl)]methyl propionate}
• 英文别名: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]amino]propanoate
• CAS: 189005-45-6
• 化学式: C₂₇H₂₇N₃O₄
• 分子量: 457.529
• InChiKey: NIHIENUQYBRTTI-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N-didemethylzolpidem-N-{2-[3-(p-hydroxyphenyl)]methyl propionate} 在 chloroamine-T 、 sodium iodide 作用下， 以 甲醇 、 水 为溶剂， 反应 0.17h， 生成 N,N-didemethylzolpidem-N-{2-[3-(4-hydroxy-3-iodophenyl)]methyl propionate}
  参考文献：
  名称：

  Synthesis of N,N-didemethylzolpidem-N-{2-{3-(4-hydroxy-3-[125I] iodophenyl)}methyl propionate} for use in radioimmunoassay

  摘要：

  The I-125-derivative of zolpidem was prepared by iodination of a L-tyrosine methyl ester conjugate of a zolpidem precursor. The iodinated compound has been used as purified by normal phase HPLC, in combination with gamma counting detection. The structure was confirmed by high resolution L-SIMS.

  DOI：

  10.1002/(sici)1099-1344(199703)39:3<195::aid-jlcr958>3.0.co;2-8
• 作为产物：
  描述：

  6-甲基-2-(4-甲基苯基)咪唑并[1,2-a]吡啶-3-乙酸 在 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.25h， 生成 N,N-didemethylzolpidem-N-{2-[3-(p-hydroxyphenyl)]methyl propionate}
  参考文献：
  名称：

  Synthesis of N,N-didemethylzolpidem-N-{2-{3-(4-hydroxy-3-[125I] iodophenyl)}methyl propionate} for use in radioimmunoassay

  摘要：

  The I-125-derivative of zolpidem was prepared by iodination of a L-tyrosine methyl ester conjugate of a zolpidem precursor. The iodinated compound has been used as purified by normal phase HPLC, in combination with gamma counting detection. The structure was confirmed by high resolution L-SIMS.

  DOI：

  10.1002/(sici)1099-1344(199703)39:3<195::aid-jlcr958>3.0.co;2-8

文献信息

• Synthesis of N,N-didemethylzolpidem-N-{2-{3-(4-hydroxy-3-[125I] iodophenyl)}methyl propionate} for use in radioimmunoassay
  作者：I. De Clerck、P. Daenens

  DOI：10.1002/(sici)1099-1344(199703)39:3<195::aid-jlcr958>3.0.co;2-8

  日期：1997.3

  The I-125-derivative of zolpidem was prepared by iodination of a L-tyrosine methyl ester conjugate of a zolpidem precursor. The iodinated compound has been used as purified by normal phase HPLC, in combination with gamma counting detection. The structure was confirmed by high resolution L-SIMS.