(1S,11R,12S,15S,16S)-6-amino-15-hydroxy-16-methyltetracyclo[9.7.0.02,8.012,16]octadeca-2(8),3,6-trien-5-one | 194349-31-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: (1S,11R,12S,15S,16S)-6-amino-15-hydroxy-16-methyltetracyclo[9.7.0.02,8.012,16]octadeca-2(8),3,6-trien-5-one
• CAS: 194349-31-0
• 化学式: C₁₉H₂₅NO₂
• 分子量: 299.413
• InChiKey: ZPRUEJRUEIGLKM-GVYRHCHYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,11R,12S,15S,16S)-6-amino-15-hydroxy-16-methyltetracyclo[9.7.0.02,8.012,16]octadeca-2(8),3,6-trien-5-one 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 3,17β-Dihydroxy-A-homo-oestra-1(10),2,4a-trien-4-on
  参考文献：
  名称：

  The synthesis and evaluation of functionalized estratropones: Potent inhibitors of tubulin polymerization

  摘要：

  The synthesis of several alpha-substituted estratropones is described. The compounds were evaluated for the inhibition of tubulin polymerization using purified bovine brain tubulin. Several of the compounds are equipotent to colchicine for their ability to inhibit the polymerization of tubulin. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00327-2
• 作为产物：
  描述：

  (17B)-3-甲氧基雌甾-2,5(10)-二烯-17-醇 在 potassium tert-butylate 、 silver nitrate 、 肼 作用下， 生成 (1S,11R,12S,15S,16S)-6-amino-15-hydroxy-16-methyltetracyclo[9.7.0.02,8.012,16]octadeca-2(8),3,6-trien-5-one
  参考文献：
  名称：

  The synthesis and evaluation of functionalized estratropones: Potent inhibitors of tubulin polymerization

  摘要：

  The synthesis of several alpha-substituted estratropones is described. The compounds were evaluated for the inhibition of tubulin polymerization using purified bovine brain tubulin. Several of the compounds are equipotent to colchicine for their ability to inhibit the polymerization of tubulin. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00327-2

文献信息

• The synthesis and evaluation of functionalized estratropones: Potent inhibitors of tubulin polymerization
  作者：Thomas A. Miller、Amanda L. Bulman、Charles D. Thompson、Michael E. Garst、Timothy L. Macdonald

  DOI：10.1016/s0960-894x(97)00327-2

  日期：1997.7

  The synthesis of several alpha-substituted estratropones is described. The compounds were evaluated for the inhibition of tubulin polymerization using purified bovine brain tubulin. Several of the compounds are equipotent to colchicine for their ability to inhibit the polymerization of tubulin. (C) 1997 Elsevier Science Ltd.