3,17β-dihydroxy-17α-(3-bromobenzyl)-2-methoxyestra-1,3,5(10)-triene | 401818-68-6

• 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: 3,17β-dihydroxy-17α-(3-bromobenzyl)-2-methoxyestra-1,3,5(10)-triene
• 英文别名: (8R,9S,13S,14S,17R)-17-[(3-bromophenyl)methyl]-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 401818-68-6
• 化学式: C₂₆H₃₁BrO₃
• 分子量: 471.434
• InChiKey: NNLOORJVSVYYSZ-ZSPCPPPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 17-Aryl linker derivatised estrogen 3-sulphamates as inhibitors of steroid sulphatase
  申请人：——

  公开号：US20030203855A1

  公开（公告）日：2003-10-30

  There is provided a compound comprising a steroidal ring system and a group R 1 selected from any one of a sulphamate group, a phosphonate group, a thiophosphonate group, a sulphonate group or a sulphonamide group; wherein the D ring of the steroidal ring system is substituted by a group R 2 of the formula —L—R 3 , wherein L is an optional linker group and R 3 is an aromatic hydrocarbyl group.

  提供了一种化合物，包括一个甾体环系统和一个从磺酰胺基团、膦酸基团、硫代膦酸基团、磺酸基团或磺酰胺基团中选择的基团R1；其中甾体环系统的D环被一个公式为—L—R3的基团R2取代，其中L是一个可选的连接基团，R3是一个芳香烃基团。
• 17-ARYL-LINKER DERIVATISED ESTROGEN 3-SULPHAMATES AS INHIBITORS OF STEROID SULPHATASE
  申请人：Sterix Limited

  公开号：EP1311533A1

  公开（公告）日：2003-05-21
• US7067503B2
  申请人：——

  公开号：US7067503B2

  公开（公告）日：2006-06-27
• [EN] 17-ARYL-LINKER DERIVATISED ESTROGEN 3-SULPHAMATES AS INHIBITORS OF STEROID SULPHATASE<br/>[FR] 3-SULPHAMATES OESTROGENIQUES DERIVATISES A LIEUR 17-ARYLE UTILISES COMME INHIBITEURS DE STEROIDE-SULPHATASE
  申请人：STERIX LTD

  公开号：WO2002016393A1

  公开（公告）日：2002-02-28

  There is provided a compound comprising a steroidal ring system and a group R1 selected from any one of a sulphamate group, a phosphonate group, a thiophosphonate group, a sulphonate group or a sulphonamide group; wherein the D ring of the steroidal ring system is substituted by a group R2 of the formula -L-R3, wherein L is an optional linker group and R3 is an aromatic hydrocarbyl group.