methyl (R)-(2-((tert-butoxycarbonyl)amino)-4-(4-(heptyloxy)phenyl)-2-methylbutyl)glycinate | 1222084-65-2

• 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: methyl (R)-(2-((tert-butoxycarbonyl)amino)-4-(4-(heptyloxy)phenyl)-2-methylbutyl)glycinate
• CAS: 1222084-65-2
• 化学式: C₂₆H₄₄N₂O₅
• 分子量: 464.646
• InChiKey: IVIXITGGSQRCKP-AREMUKBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  33.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  85.89
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  methyl (R)-(2-((tert-butoxycarbonyl)amino)-4-(4-(heptyloxy)phenyl)-2-methylbutyl)glycinate 在 甲酸 、 氯磺酰异氰酸酯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  S1P receptor mediated activity of FTY720 phosphate mimics

  摘要：

  Various carboxylic acids, phosphonic acids, sulfonic acids, tetrazoles as well as sulfonylhydantoins were prepared as phosphate mimics of the chiral aminophosphate1-P to act as agonists on the S1P(1) receptor. It was found that amino phosphonates and amino carboxylates are potent S1P(1) binders. beta-Amino acid 11 could be shown to reversibly reduce blood lymphocyte counts in rats after po administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.118
• 作为产物：
  描述：

  [(R)-1-formyl-3-(4-heptyloxy-phenyl)-1-methyl-propyl]-carbamic acid tert-butyl ester 、 甘胺酸甲酯 在 sodium cyanoborohydride 作用下， 以29%的产率得到methyl (R)-(2-((tert-butoxycarbonyl)amino)-4-(4-(heptyloxy)phenyl)-2-methylbutyl)glycinate
  参考文献：
  名称：

  S1P receptor mediated activity of FTY720 phosphate mimics

  摘要：

  Various carboxylic acids, phosphonic acids, sulfonic acids, tetrazoles as well as sulfonylhydantoins were prepared as phosphate mimics of the chiral aminophosphate1-P to act as agonists on the S1P(1) receptor. It was found that amino phosphonates and amino carboxylates are potent S1P(1) binders. beta-Amino acid 11 could be shown to reversibly reduce blood lymphocyte counts in rats after po administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.118