methyl-3α-acetoxy-11α-(t-butyldimethylsilyloxy)-5α-androstan-17β-yl-2',3',4'-tri-O-acetyl-β-D-glucopyranosiduronate | 141563-25-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: methyl-3α-acetoxy-11α-(t-butyldimethylsilyloxy)-5α-androstan-17β-yl-2',3',4'-tri-O-acetyl-β-D-glucopyranosiduronate
• CAS: 141563-25-9
• 化学式: C₄₀H₆₄O₁₃Si
• 分子量: 781.026
• InChiKey: WEIOSJFRNIBTJB-STCPZIBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  54.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  159.19
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  methyl-3α-acetoxy-11α-(t-butyldimethylsilyloxy)-5α-androstan-17β-yl-2',3',4'-tri-O-acetyl-β-D-glucopyranosiduronate 在 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 7.0h， 以60.9%的产率得到methyl-3α-acetoxy-11α-hydroxy-5α-androstan-17β-yl-2',3',4'-tri-O-acetyl-β-D-glucopyranosiduronate
  参考文献：
  名称：

  A direct radioimmunoassay for 5α-androstane-3α,17β-diol 17-glucuronide

  摘要：

  Synthesis of the 11-alpha-hemiglutaryl-derivative of 5-alpha-androstane-3-alpha, 17-beta-diol 17-glucuronide (androstanediol-17G) starting from androsta-4,9(11)-diene-3,17-dione through a 10-step sequence and the preparation of its bovine serum albumin conjugate is described. By using this conjugate, antiserum was raised in rabbits which proved to be very specific for androstanediol-17G. A direct radioimmunoassay using a double antibody procedure is described for the measurement of androstanediol-17G from plasma without prior chromatography.

  DOI：

  10.1016/0039-128x(92)90105-i
• 作为产物：
  描述：

  3,17-bis(ethylenedioxy)-5α-androst-9(11)-ene 在 吡啶 、 咪唑 、 盐酸 、 sodium hydroxide 、 sodium tetrahydroborate 、 硼烷四氢呋喃络合物 、 双氧水 、 potassium tri-sec-butyl-borohydride 、 silver carbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 苯 为溶剂， 反应 3.0h， 生成 methyl-3α-acetoxy-11α-(t-butyldimethylsilyloxy)-5α-androstan-17β-yl-2',3',4'-tri-O-acetyl-β-D-glucopyranosiduronate
  参考文献：
  名称：

  A direct radioimmunoassay for 5α-androstane-3α,17β-diol 17-glucuronide

  摘要：

  Synthesis of the 11-alpha-hemiglutaryl-derivative of 5-alpha-androstane-3-alpha, 17-beta-diol 17-glucuronide (androstanediol-17G) starting from androsta-4,9(11)-diene-3,17-dione through a 10-step sequence and the preparation of its bovine serum albumin conjugate is described. By using this conjugate, antiserum was raised in rabbits which proved to be very specific for androstanediol-17G. A direct radioimmunoassay using a double antibody procedure is described for the measurement of androstanediol-17G from plasma without prior chromatography.

  DOI：

  10.1016/0039-128x(92)90105-i