Fulvestrant

Fulvestrant is a synthetic estrogen receptor antagonist. Unlike tamoxifen (which has partial agonist effects) and the aromatase inhibitors (which reduce the estrogen available to tumor cells), fulvestrant binds competitively to estrogen receptors in breast cancer cells

General

Type : Trifluoro, Sulfur Compound, Drug, Not AlphaBeta Hydrolase target, Phenanthrene

Chemical_Nomenclature : (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Canonical SMILES : CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

InChI : InChI=1S\/C32H47F5O3S\/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37\/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3\/t22-,26-,27+,28+,29-,30+,41?\/m1\/s1

InChIKey : VWUXBMIQPBEWFH-WCCTWKNTSA-N

Other name(s) : FVS  ||  Faslodex  ||  ICI 182,780  ||  Ici 182780  ||  ICI-182780


MW : 606.77

Formula : C32H47F5O3S

CAS_number : 129453-61-8

PubChem : 104741

UniChem : VWUXBMIQPBEWFH-WCCTWKNTSA-N

Target

Families : Fulvestrant ligand of proteins in family
Epoxide_hydrolase

Structure :
4J03

Protein :
human-EPHX2

References (3)

Title : Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides - Morisseau_2013_Bioorg.Med.Chem.Lett_23_3818
Author(s) : Morisseau C , Pakhomova S , Hwang SH , Newcomer ME , Hammock BD
Ref : Bioorganic & Medicinal Chemistry Lett , 23 :3818 , 2013
Abstract :
PubMedSearch : Morisseau_2013_Bioorg.Med.Chem.Lett_23_3818
PubMedID: 23684894
Gene_locus related to this paper: human-EPHX2

Title : Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides - Morisseau_2013_Bioorg.Med.Chem.Lett_23_3818
Author(s) : Morisseau C , Pakhomova S , Hwang SH , Newcomer ME , Hammock BD
Ref : Bioorganic & Medicinal Chemistry Lett , 23 :3818 , 2013
Abstract :
PubMedSearch : Morisseau_2013_Bioorg.Med.Chem.Lett_23_3818
PubMedID: 23684894
Gene_locus related to this paper: human-EPHX2

Title : Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides - Morisseau_2013_Bioorg.Med.Chem.Lett_23_3818
Author(s) : Morisseau C , Pakhomova S , Hwang SH , Newcomer ME , Hammock BD
Ref : Bioorganic & Medicinal Chemistry Lett , 23 :3818 , 2013
Abstract :
PubMedSearch : Morisseau_2013_Bioorg.Med.Chem.Lett_23_3818
PubMedID: 23684894
Gene_locus related to this paper: human-EPHX2