2-carboxy-11α,17β-dihydroxy-17-methyl-1,4-androstadien-3-one | 59400-01-0

• 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: 2-carboxy-11α,17β-dihydroxy-17-methyl-1,4-androstadien-3-one
• 英文别名: (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carboxylic acid
• CAS: 59400-01-0
• 化学式: C₂₁H₂₈O₅
• 分子量: 360.45
• InChiKey: JOFBZBDWOWPUMO-QNHMRBSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.47
• 重原子数：
  26.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  94.83
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-carboxy-11α,17β-dihydroxy-17-methyl-1,4-androstadien-3-one 、 碘甲烷 在 silver(l) oxide 作用下， 以95%的产率得到2-carbomethoxy-11α,17β-dihydroxy-17-methyl-1,4-androstadiene-3-one
  参考文献：
  名称：

  Synthesis of 2-carboxy-11β,17β-dihydroxy-17-methyl-l,4-androstadien-3-one and related compounds

  摘要：

  A series of 2-carboxy-1, 4-androstadien-3-one derivatives and their alkyl esters, were prepared by high-yield syntheses. The compounds were structurally identified by physical methods. All these steroids are characterized by a marked antiglucocorticoid activity that proved long-acting in the case of the ester derivatives. 2-Carboxy-11 beta, 17 beta-dihydroxy-17-methyl-1, 4-androstadien-3-one or roxibolone, and its n-decylester or decylroxibolone, are the most promising derivatives in consideration of their pharmacological properties.

  DOI：

  10.1016/0039-128x(84)90045-x
• 作为产物：
  描述：

  醛甲宝龙 在 silver(l) oxide 作用下， 以71%的产率得到2-carboxy-11α,17β-dihydroxy-17-methyl-1,4-androstadien-3-one
  参考文献：
  名称：

  Synthesis of 2-carboxy-11β,17β-dihydroxy-17-methyl-l,4-androstadien-3-one and related compounds

  摘要：

  A series of 2-carboxy-1, 4-androstadien-3-one derivatives and their alkyl esters, were prepared by high-yield syntheses. The compounds were structurally identified by physical methods. All these steroids are characterized by a marked antiglucocorticoid activity that proved long-acting in the case of the ester derivatives. 2-Carboxy-11 beta, 17 beta-dihydroxy-17-methyl-1, 4-androstadien-3-one or roxibolone, and its n-decylester or decylroxibolone, are the most promising derivatives in consideration of their pharmacological properties.

  DOI：

  10.1016/0039-128x(84)90045-x

文献信息

• MASSE, ROBERT;BI, HONGGANG;DU, PING, ANAL. CHIM. ACTA, 247,(1991) N, C. 211-221
  作者：MASSE, ROBERT、BI, HONGGANG、DU, PING

  DOI：——

  日期：——