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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
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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Definition:A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl group.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


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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 6:52,234,089...52,271,568
Ensembl chr 6:52,234,089...52,271,568
JBrowse link
G Bcl2 BCL2, apoptosis regulator affects expression ISO RU 58668 affects the expression of BCL2 protein CTD PMID:15868441 NCBI chr13:22,689,783...22,853,920 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 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
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 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
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 1:121,549,839...121,838,545
Ensembl chr 1:121,550,743...121,831,777
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 9:74,415,574...74,442,945
Ensembl chr 9:74,415,546...74,442,937
JBrowse link
G Pgr progesterone receptor affects expression ISO RU 58668 affects the expression of PGR protein CTD PMID:15868441 NCBI chr 8:6,073,216...6,131,552
Ensembl chr 8:6,072,673...6,131,344
JBrowse link

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              RU 58668 7
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                  main group element atom 19716
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                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic polycyclic compound 16538
                                  steroid 13057
                                    hydroxy steroid 12658
                                      17-hydroxy steroid 12171
                                        17beta-hydroxy steroid 10928
                                          RU 58668 7
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