Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:RU 58668
go back to main search page
Accession:CHEBI:90223 term browser browse the term
Definition:A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl group. RU 58668 is a pure anti-estrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM).
Synonyms:exact_synonym: 11beta-[4-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl]estra-1,3,5(10)-triene-3,17beta-diol
 related_synonym: (11beta,17beta)-11-[4-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl]estra-1,3,5(10)-triene-3,17-diol;   11beta-[4-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl]-17beta-estradiol;   Formula=C34H43F5O5S;   InChI=1S/C34H43F5O5S/c1-32-21-28(31-26-13-9-24(40)20-23(26)8-12-27(31)29(32)14-15-30(32)41)22-6-10-25(11-7-22)44-17-3-2-4-18-45(42,43)19-5-16-33(35,36)34(37,38)39/h6-7,9-11,13,20,27-31,40-41H,2-5,8,12,14-19,21H2,1H3/t27-,28+,29-,30-,31+,32-/m0/s1;   InChIKey=SDCUWFRXMLQNCS-LFAPAAFUSA-N;   RU 58,668;   RU58668;   SMILES=[C@]12(CCC3=C([C@]1([C@H](C[C@@]4(C)[C@@]2([H])CC[C@@H]4O)C5=CC=C(C=C5)OCCCCCS(CCCC(C(F)(F)F)(F)F)(=O)=O)[H])C=CC(=C3)O)[H]
 xref: CAS:151555-47-4
 xref_mesh: MESH:C086511
 xref: PMID:12880293;   PMID:14757510;   PMID:16753295;   PMID:7625719;   PMID:8142294;   PMID:8879676;   PMID:9010350;   PMID:9355049;   Reaxys:7454158


show annotations for term's descendants           Sort by:
 
RU 58668 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ahr aryl hydrocarbon receptor multiple interactions ISO [RU 58668 results in increased activity of AHR protein] which results in increased expression of CYP1A1 mRNA CTD PMID:19901195 NCBI chr 6:54,963,990...55,001,806
Ensembl chr 6:54,963,990...55,001,464
JBrowse link
G Bcl2 BCL2, apoptosis regulator affects expression ISO RU 58668 affects the expression of BCL2 protein CTD PMID:15868441 NCBI chr13:26,605,426...26,769,374
Ensembl chr13:26,605,426...26,769,374
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases expression
multiple interactions
ISO RU 58668 results in increased expression of CYP1A1 mRNA
[RU 58668 results in increased activity of AHR protein] which results in increased expression of CYP1A1 mRNA; RU 58668 inhibits the reaction [Tetrachlorodibenzodioxin results in increased activity of CYP1A1 protein]
CTD PMID:18493746, PMID:19901195 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G Esr1 estrogen receptor 1 multiple interactions ISO RU 58668 inhibits the reaction [Estradiol results in increased activity of ESR1 protein]; RU 58668 promotes the reaction [fulvestrant inhibits the reaction [Genistein results in increased activity of ESR1 protein]]; RU 58668 results in decreased stability of and results in decreased expression of ESR1 protein CTD PMID:15868441, PMID:20599613 NCBI chr 1:41,192,029...41,594,799
Ensembl chr 1:41,192,824...41,594,796
JBrowse link
G Igf1r insulin-like growth factor 1 receptor affects expression ISO RU 58668 affects the expression of IGF1R protein CTD PMID:15868441 NCBI chr 1:128,924,921...129,213,816
Ensembl chr 1:128,924,966...129,206,516
JBrowse link
G Igfbp2 insulin-like growth factor binding protein 2 affects expression ISO RU 58668 affects the expression of IGFBP2 protein CTD PMID:15868441 NCBI chr 9:80,118,029...80,144,804
Ensembl chr 9:80,118,029...80,144,789
JBrowse link
G Pgr progesterone receptor affects expression ISO RU 58668 affects the expression of PGR protein CTD PMID:15868441 NCBI chr 8:7,128,656...7,187,796
Ensembl chr 8:7,128,656...7,187,796
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        pharmaceutical 19275
          drug 19275
            antineoplastic agent 16985
              RU 58668 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic polycyclic compound 16384
                                  steroid 12788
                                    hydroxy steroid 12371
                                      17-hydroxy steroid 11855
                                        17beta-hydroxy steroid 10575
                                          RU 58668 7
paths to the root

NHLBI Logo

RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.