CAS 152764-51-7

4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid

Description:

4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid, with CAS number 152764-51-7, is a complex organic compound characterized by its structural features, which include a glucopyranosiduronic acid moiety linked to a phenyl group and a dimethylaminoethoxy substituent. This compound exhibits properties typical of glycosides, including potential solubility in polar solvents due to the presence of the glucuronic acid component. The dimethylamino group may impart basicity and influence the compound's interaction with biological systems, potentially affecting its pharmacological activity. The presence of multiple aromatic rings suggests that it may exhibit significant π-π stacking interactions, which could influence its stability and reactivity. Additionally, the compound's structure indicates potential for various functional group transformations, making it a candidate for further chemical modifications in research and pharmaceutical applications. Overall, its unique combination of functional groups and structural complexity may contribute to diverse biological activities, warranting further investigation.

Formula: C₃₂H₃₇NO₈

InChI: InChI=1S/C32H37NO8/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(15-11-21)39-19-18-33(2)3)22-12-16-24(17-13-22)40-32-29(36)27(34)28(35)30(41-32)31(37)38/h5-17,27-30,32,34-36H,4,18-19H2,1-3H3,(H,37,38)/b26-25+/t27-,28-,29+,30-,32+/m0/s1

InChI key: InChIKey=SSRNQFUJUAOPJD-OFKVRPASSA-N

SMILES: C(=C(\CC)/C1=CC=CC=C1)(\C2=CC=C(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)C=C2)/C4=CC=C(OCCN(C)C)C=C4

Synonyms:

• β-D-Glucopyranosiduronic acid, 4-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl
• β-D-Glucopyranosiduronic acid, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl, (E)-
• β-D-Glucopyranosiduronic acid, 4-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl
• 4-Hydroxy-tamoxifen O-β-D-glucuronide
• 4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid

(E)-4-Hydroxy Tamoxifen O-β-D-Glucuronide

Controlled Product

CAS: 152764-51-7

Applications A glucuronide of (Z)-4-Hydroxy Tamoxifen (or trans-4-hydroxytamoxifen), an active metabolite of Tamoxifen (T006000).
References Beaulieu, M., et al.: J. Biol. Chem., 271, 22855 (1996), Green, M., et al.: Drug Metab. Dispos., 26, 860 (1998), Nishiyama, T., et al.: Biochem. Pharmacol., 63, 1817 (2002),

Formula: C₃₂H₃₇NO₈

Purity: >90%

Color and Shape: Neat

Molecular weight: 563.64

Ref: TR-H954760