ChemSpider 2D Image | (11β,17β)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]estra-1,3,5(10)-triene-3,17-diol | C34H43F5O5S

(11β,17β)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]estra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC34H43F5O5S
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5293467

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(11β,17β)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]estra-1,3,5(10)-triene-3,17-diol
(11β,17β)-11-[4-({5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl]estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(11β,17β)-11-[4-({5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl}oxy)phényl]estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
(11β,17β)-11-[4-({5-[(4,4,5,5,5-Pentafluorpentyl)sulfonyl]pentyl}oxy)phenyl]estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
151555-47-4 [RN]
Estra-1,3,5(10)-triene-3,17-diol, 11-(4-((5-((4,4,5,5,5-pentafluoropentyl)sulfonyl)pentyl)oxy)phenyl)-, (11β,17β)-
Estra-1,3,5(10)-triene-3,17-diol, 11-[4-[[5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]-, (11β,17β)- [ACD/Index Name]
(11b,17b)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenylestra-1,3,5,(10)-triene-3,17-diol
(8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
[151555-47-4] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RU 58668 [DBID]
RU-58668 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A 17<stereo>beta</stereo>-hydroxy steroid that is 17<stereo>beta</stereo>-estradiol in the the hydrogen at the 11<stereo>beta</stereo> position has been replaced by a <ital>p</ital>-({5-[(4,4,5,5,5-pe ntafluoropentyl)sulfonyl]pentyl}oxy)phenyl group. RU 58668 is a pure anti-estrogen that downregulates estrogen receptor expression (IC<smallsub>50</smallsub> = 0.04 nM). ChEBI CHEBI:90223
      A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pe; ntafluoropentyl)sulfonyl]pentyl}oxy)phenyl group. RU 58668 is a pure anti-estrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90223

    • Bio Activity:

      Estrogen and Related Receptors Tocris Bioscience 3224
      Nuclear Receptors Tocris Bioscience 3224
      Pure antiestrogen Tocris Bioscience 3224
      Pure antiestrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM). Displays potent antiproliferative activity in vitro (IC50 = 0.035 - 0.09 nM in MCF-7 cells) and causes long term reg ression of tamoxifen-resistant MCF-7 xenografts in vivo. Tocris Bioscience 3224
      Pure antiestrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM). Displays potent antiproliferative activity in vitro (IC50 = 0.035 - 0.09 nM in MCF-7 cells) and causes long term regression of tamoxifen-resistant MCF-7 xenografts in vivo. Tocris Bioscience 3224

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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