estradiol-17β 17-bromoacetate | 66463-40-9

• 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: estradiol-17β 17-bromoacetate
• 英文别名: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-bromoacetate
• CAS: 66463-40-9
• 化学式: C₂₀H₂₅BrO₃
• 分子量: 393.321
• InChiKey: GUNUDQYMQUNJFN-JGLNRKDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,17-dibromoacetyl estradiol 生成 estradiol-17β 17-bromoacetate
  参考文献：
  名称：

  ASANO, IOSIAKI;TAMURA, FUMIO;TANAKA, XIROMITSU;EHNOMOTO, XADZIMEH

  摘要：

  DOI：

文献信息

• The synthesis and study of some potential affinity labeling reagents for estrogen receptors
  作者：Thomas Ratajczak、Peter N. Sheppard、Robert J. Capon、Roland Hähnel

  DOI：10.1016/0039-128x(81)90053-2

  日期：1981.11

  The influence of the following affinity labeling reagents on the binding of tritiated estradiol-17 beta (E) by human and calf uterine cytosols was studied: 11 beta-chloromethylestradiol (ORG4333), 2-azidoestradiol (2A-E), 4-azidoestradiol (4A-E), 3-azidohexestrol (3A-H), estradiol-17 beta 17-bromoacetate (E-17BrAc), 6-[O-carbo-(2'-chloroethoxy)methyl] oximinoestradiol (6-CMOEtC1), 17-[O-carbo-(2'-chloroethoxy) methyl] oximinoestrone (17-CMOEtCl), 2-di (2'-hydroxy-3'-chloropropyl)aminoestradiol (E-Mustard). For the human uterine estrogen receptor the relative binding affinity decreased in the order E greater than ORG 4333 greater than E-17BrAc greater than 3A-H greater than 2A-E greater than 4A-E greater than 6-CMOEtCl greater than E-Mustard greater than 17-CMOEtCl. The binding characteristics of the calf uterine estrogen receptor were qualitatively similar, but quantitatively different. ORG 4333 appeared to form a highly stable association with the receptors, but alkylation of the protein could not be conclusively demonstrated.
• JPS5524146A
  申请人：——

  公开号：JPS5524146A

  公开（公告）日：1980-02-21
• JPS5527122A
  申请人：——

  公开号：JPS5527122A

  公开（公告）日：1980-02-27
• JPS5527123A
  申请人：——

  公开号：JPS5527123A

  公开（公告）日：1980-02-27
• JPS5527124A
  申请人：——

  公开号：JPS5527124A

  公开（公告）日：1980-02-27