(S)-4-Amino-4-(2-{2-[2-((S)-2-amino-4-tert-butoxycarbonyl-butyrylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-butyric acid tert-butyl ester | 247205-72-7

• 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)-4-Amino-4-(2-{2-[2-((S)-2-amino-4-tert-butoxycarbonyl-butyrylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-butyric acid tert-butyl ester
• CAS: 247205-72-7
• 化学式: C₂₄H₄₆N₄O₈
• 分子量: 518.651
• InChiKey: UBUHJAMDTAHMMX-ROUUACIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.15
• 重原子数：
  36.0
• 可旋转键数：
  17.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  181.3
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (S)-4-Amino-4-(2-{2-[2-((S)-2-amino-4-tert-butoxycarbonyl-butyrylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-butyric acid tert-butyl ester 在 三氟乙酸 、 sodium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-4-[Bis-(4-benzyloxy-benzyl)-amino]-4-{2-[2-(2-{(S)-2-[bis-(4-benzyloxy-benzyl)-amino]-4-carboxy-butyrylamino}-ethoxy)-ethoxy]-ethylcarbamoyl}-butyric acid
  参考文献：
  名称：

  Synthesis and erythropoietin receptor binding affinities of N,N-disubstituted amino acids

  摘要：

  N, N-Dicinnamyl, N-benzyl-N-cinnamyl, and N, N-dibenzyl amino acids were prepared and evaluated in an EPO binding assay. Several derivatives of aspartic acid, glutamic acid, and lysine exhibited moderate (10 50 mu M) affinity for EBP; 'dimerization' of the most potent analogues by coupling with linear diamines led to EPO competitors having 1-2 mu M binding. affinities. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00399-1
• 作为产物：
  描述：

  (S)-4-Benzyloxycarbonylamino-4-(2-{2-[2-((S)-2-benzyloxycarbonylamino-4-tert-butoxycarbonyl-butyrylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-butyric acid tert-butyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 (S)-4-Amino-4-(2-{2-[2-((S)-2-amino-4-tert-butoxycarbonyl-butyrylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-butyric acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and erythropoietin receptor binding affinities of N,N-disubstituted amino acids

  摘要：

  N, N-Dicinnamyl, N-benzyl-N-cinnamyl, and N, N-dibenzyl amino acids were prepared and evaluated in an EPO binding assay. Several derivatives of aspartic acid, glutamic acid, and lysine exhibited moderate (10 50 mu M) affinity for EBP; 'dimerization' of the most potent analogues by coupling with linear diamines led to EPO competitors having 1-2 mu M binding. affinities. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00399-1