4-Pivaloyloxy Toremifene - CAS 177748-20-8

Catalog: BB058081
Product Name: 4-Pivaloyloxy Toremifene
CAS: 177748-20-8
Synonyms: 2,2-Dimethyl-propanoic Acid 4-[(1E)-4-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl Ester
4-Pivaloyloxy Toremifene
IUPAC Name:[4-[(E)-4-chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
Description:Protected 4-Hydroxy Toremifene (H954500), a metabolite of Toremifene (T547500). 4-Pivaloyloxy Toremifene is used in the preparation of Tamoxifen (T006000) analogs with improved binding selectivity towards the orphan estrogen-related receptor γ and the classical estrogen receptor α.
Molecular Weight:506.08
Molecular Formula:C31H36ClNO3
Canonical SMILES:CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(C)C
InChI:InChI=1S/C31H36ClNO3/c1-31(2,3)30(34)36-27-17-13-25(14-18-27)29(28(19-20-32)23-9-7-6-8-10-23)24-11-15-26(16-12-24)35-22-21-33(4)5/h6-18H,19-22H2,1-5H3/b29-28+
InChI Key:QKWCTPTUWXTFRE-ZQHSETAFSA-N
Melting Point:124-127°C
Solubility:Chloroform, Methanol
Appearance:Off-White to Light Beige Solid
Storage:Amber Vial, -20°C Freezer, Under inert atmosphere
References:Chao, E. et al. Bioorg. Med. Chem. Lett., 16, 821 (2006).

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