7-[4-(2-Piperidinyl)ethoxy]benzoyl Raloxifene

• CAT Number: R011582
• CAS Number: 1159977-58-8
• Molecular Formula: C42H44N2O6S
• Molecular Weight: 704.87
• Purity: ≥95%
• Synonyms: [6-hydroxy-2-(4-hydroxyphenyl)-7-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
• InChI: InChI=1S/C42H44N2O6S/c45-32-13-7-31(8-14-32)41-37(39(47)29-9-15-33(16-10-29)49-27-25-43-21-3-1-4-22-43)35-19-20-36(46)38(42(35)51-41)40(48)30-11-17-34(18-12-30)50-28-26-44-23-5-2-6-24-44/h7-20,45-46H,1-6,21-28H2
• InChIKey: ZIQUILNLPRCFRB-UHFFFAOYSA-N
• SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4C(=O)C5=CC=C(C=C5)OCCN6CCCCC6)O)C7=CC=C(C=C7)O

7-[4-(2-Piperidinyl)ethoxy]benzoyl Raloxifene is a liver receptor homolog-1 (LRH-1) antagonist with an IC50 of 3.1 μM[1].
7-[4-(2-Piperidinyl)ethoxy]benzoyl Raloxifene is binding to the domain (LBD) of LRH-1[1].

Reference

[1]. Rey, J., et al. Discovery of a New Class of Liver Receptor Homolog-1 (LRH-1) Antagonists: Virtual Screening, Synthesis and Biological Evaluation. ChemMedChem,2012; 7(11), 1909–1914.