6-tert-butoxycarbonylamino-hexanoic acid 3-O-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propyonylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-O-(tert-butyl-dimethylsilyl)-sn-glyceryl ester | 888959-54-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: 6-tert-butoxycarbonylamino-hexanoic acid 3-O-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propyonylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-O-(tert-butyl-dimethylsilyl)-sn-glyceryl ester
• 英文别名: [(2R)-3-[2-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-[tert-butyl(dimethyl)silyl]oxypropyl] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
• CAS: 888959-54-4
• 化学式: C₃₃H₆₈N₃O₁₄PSi
• 分子量: 789.974
• InChiKey: DENPXLQMMYDFOP-MUUNZHRXSA-N

物化性质

• 密度：
  1.126±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  52
• 可旋转键数：
  35
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  222
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  6-tert-butoxycarbonylamino-hexanoic acid 3-O-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propyonylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-O-(tert-butyl-dimethylsilyl)-sn-glyceryl ester 在 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Fluorogenic Phospholipid Substrate to Detect Lysophospholipase D/Autotaxin Activity

  摘要：

  Lysophospholipase D (lysoPLD), also known as autotaxin (ATX), is an important source of the potent mitogen lysophosphatidic acid (LPA). Two fluorogenic substrate analogues for lysoPLD were synthesized in nine steps from (S)-PMB-glycerol. The substrates (FS-2 and FS-3) show significant increases in fluorescence when treated with recombinant ATX and have potential applications in screening for this emerging drug target.

  DOI：

  10.1021/ol060414i
• 作为产物：
  描述：

  叔丁氧羰酰基6-氨基己酸 在 palladium on activated charcoal 咪唑 、 四氮唑 、 4-二甲氨基吡啶 、 水 、 氢气 、 间氯过氧苯甲酸 、 N,N'-二环己基碳二亚胺 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 、 水 、 叔丁醇 为溶剂， -40.0~20.0 ℃ 、344.74 kPa 条件下， 反应 25.5h， 生成 6-tert-butoxycarbonylamino-hexanoic acid 3-O-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propyonylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-O-(tert-butyl-dimethylsilyl)-sn-glyceryl ester
  参考文献：
  名称：

  Fluorogenic Phospholipid Substrate to Detect Lysophospholipase D/Autotaxin Activity

  摘要：

  Lysophospholipase D (lysoPLD), also known as autotaxin (ATX), is an important source of the potent mitogen lysophosphatidic acid (LPA). Two fluorogenic substrate analogues for lysoPLD were synthesized in nine steps from (S)-PMB-glycerol. The substrates (FS-2 and FS-3) show significant increases in fluorescence when treated with recombinant ATX and have potential applications in screening for this emerging drug target.

  DOI：

  10.1021/ol060414i

文献信息

• Fluorogenic Phospholipid Substrate to Detect Lysophospholipase D/Autotaxin Activity
  作者：Colin G. Ferguson、Cleve S. Bigman、Robyn D. Richardson、Laurens A. van Meeteren、Wouter H. Moolenaar、Glenn D. Prestwich

  DOI：10.1021/ol060414i

  日期：2006.5.1

  Lysophospholipase D (lysoPLD), also known as autotaxin (ATX), is an important source of the potent mitogen lysophosphatidic acid (LPA). Two fluorogenic substrate analogues for lysoPLD were synthesized in nine steps from (S)-PMB-glycerol. The substrates (FS-2 and FS-3) show significant increases in fluorescence when treated with recombinant ATX and have potential applications in screening for this emerging drug target.