2-methoxy-17α-benzylestradiol | 401479-59-2

• 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-methoxy-17α-benzylestradiol
• 英文别名: 3,17β-dihydroxy-17α-benzyl-2-methoxyestra-1,3,5(10)-triene；(8R,9S,13S,14S,17R)-17-benzyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 401479-59-2
• 化学式: C₂₆H₃₂O₃
• 分子量: 392.538
• InChiKey: DINSPYQXLSVXGC-ZSPCPPPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 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

• Thioether sulphamate steroids as steroid inhibtors and anti-cancer compounds
  申请人：——

  公开号：US20040009959A1

  公开（公告）日：2004-01-15

  There is provided use of a compound in the manufacture of a medicament to inhibit superoxide dismutase (SOD) or for use in the therapy of a condition or disease associated with SOD wherein the compound is of Formula I 1 wherein: X is a ring having at least 4 atoms in the ring; K is a hydrocarbyl group; R 1 is a halogen or a group of the formula -L 1 -Z-R 1 , wherein L 1 is an optional linker group, Z is O or S and R 1 is a hydrocarbyl group or H; with the proviso that the compound is other than 2-methoxy-17&bgr;-oestradiol, 2-methoxyoestrone and 2-hydroxyestradiol.

  提供了一种化合物在药物制造中的应用，用于抑制超氧化物歧化酶（SOD）或用于治疗与SOD相关的疾病或病症，其中该化合物的化学式为I1，其中：X是至少有4个原子的环；K是一个烃基；R1是卤素或公式-L1-Z-R1的基团，其中L1是可选的连接基团，Z是O或S，R1是烃基或氢；但该化合物不包括2-甲氧基-17β-雌二醇，2-甲氧基雌酮和2-羟基雌二醇。
• US7342004B2
  申请人：——

  公开号：US7342004B2

  公开（公告）日：2008-03-11
• [EN] 2-SUBSTITUTED ESTRADIOL DERIVATIVE FOR INHIBITING SUPEROXID DISMUTASE<br/>[FR] DERIVE D'ESTRADIOL 2-SUBSTITUE SERVANT A INHIBER SUPEROXYDE DISMUTASE
  申请人：STERIX LTD

  公开号：WO2002015910A1

  公开（公告）日：2002-02-28

  There is provided use of a compound in the manufacture o a medicament to inhibit superoxide dismutase (SOD) or for use in the therapy of a condition or disease associated with SOD wherein the compound is of Formula (I) wherein: X is a ring having at least 4 atoms in the ring; K is a hydrocarbyl group; R1 is a halogen group of the formula -L1-Z-R1', wherein L1 is an optional linker group, Z is O or S and R1' is a hydrocarbyl group or H; with the proviso that the compound is other than 2-methoxy-17β-oestradiol, 2-methoxyoestrone and 2-hydroxyestradiol.