[5,6-3H2]-8-epi-PGF_2α methyl ester | 247934-15-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [5,6-3H2]-8-epi-PGF_2α methyl ester
• 英文别名: methyl (Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5,6-ditritiohept-5-enoate
• CAS: 247934-15-2
• 化学式: C₂₁H₃₆O₅
• 分子量: 372.498
• InChiKey: PJDMFGSFLLCCAO-DWOJQFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [5,6-3H2]-8-epi-PGF_2α methyl ester 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 生成 [5,6-3H2]-8-epi-PGF_2α
  参考文献：
  名称：

  Synthesis of labelled oxylipins: leukotriene A4 and 8-epi-prostaglandin F2α

  摘要：

  Tritiated leukotriene A(4) and 8-epi-prostaglandin F-2 alpha methyl esters were prepared from the corresponding acetylenic precursors by selective reduction with tritium gas to provide a probe for the metabolite identification of these oxylipins. Partially deactivated Pd-catalysts were prepared from commercial products and their composition was optimized to achieve the better selectivity. A micro-method for the saponification of labelled oxylipins methyl esters was used.

  DOI：

  10.1002/(sici)1099-1344(199907)42:7<663::aid-jlcr228>3.0.co;2-k
• 作为产物：
  描述：

  15(RS)-9,11-O-di(triethylsilyl)-5,6-dehydro-8-epi-PGF_2α methyl ester 在 sodium tetrahydroborate 、 Pd-BaSO₄ 、 lead acetate 超重氢 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 为溶剂， 20.0 ℃ 、40.0 kPa 条件下， 反应 1.5h， 生成 [5,6-3H2]-8-epi-PGF_2α methyl ester
  参考文献：
  名称：

  Synthesis of labelled oxylipins: leukotriene A4 and 8-epi-prostaglandin F2α

  摘要：

  Tritiated leukotriene A(4) and 8-epi-prostaglandin F-2 alpha methyl esters were prepared from the corresponding acetylenic precursors by selective reduction with tritium gas to provide a probe for the metabolite identification of these oxylipins. Partially deactivated Pd-catalysts were prepared from commercial products and their composition was optimized to achieve the better selectivity. A micro-method for the saponification of labelled oxylipins methyl esters was used.

  DOI：

  10.1002/(sici)1099-1344(199907)42:7<663::aid-jlcr228>3.0.co;2-k