CAS 152764-52-8

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

Description:

4-[(1E)-1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid, with CAS number 152764-52-8, is a complex organic compound characterized by its unique structural features, including a glucopyranosiduronic acid moiety and a substituted phenyl group. This compound exhibits properties typical of glycosides, which often influence its solubility and reactivity. The presence of the methylamino group suggests potential for biological activity, possibly interacting with various biological targets. The compound's structure indicates it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its specific stereochemistry and functional groups contribute to its potential interactions in biological systems, making it a subject of interest for further research. Additionally, the glucuronic acid component may enhance its metabolic stability and excretion pathways. Overall, this compound represents a fascinating intersection of organic chemistry and pharmacology, warranting further investigation into its properties and potential applications.

Formula: C₃₁H₃₅NO₈

InChI: InChI=1S/C31H35NO8/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(14-10-20)38-18-17-32-2)21-11-15-23(16-12-21)39-31-28(35)26(33)27(34)29(40-31)30(36)37/h4-16,26-29,31-35H,3,17-18H2,1-2H3,(H,36,37)/b25-24+/t26-,27-,28+,29-,31+/m0/s1

InChI key: InChIKey=HSQYCNXRYHIGKV-QXBBUDDSSA-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(OCCNC)C=C4

Synonyms:

• β-D-Glucopyranosiduronic acid, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl
• 4-[(1E)-1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid
• β-D-Glucopyranosiduronic acid, 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl, (E)-
• β-D-Glucopyranosiduronic acid, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl
• N-Desmethyl-4-hydroxy Tamoxifen O-β-D-glucuronide
• N-Desmethyl-4-hydroxy Tamoxifen β-D-Glucuronide (E/Z Mixture)
• 4-[1-[4-[2-(MethylaMino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl-d5 β-D-Glucopyranosiduronic Acid
• Tamoxifen Citrate Impurity 26
• Tamoxifen N-Desmethyl 4-Hydroxy β-D-Glucuronide
• N-Desmethyl-4-hydroxy Tamoxifen β-D-Glucuronide
• 4-[1-[4-[2-(MethylaMino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-Glucopyranosiduronic Acid
• (E/Z)-Endoxifen Glucuronide

Endoxifen β-D-Glucuronide

CAS: 152764-52-8

Formula: C₃₁H₃₅NO₈

Molecular weight: 549.62

Ref: 4Z-E-249004

N-Desmethyl-4-hydroxy Tamoxifen beta-D-Glucuronide (E/Z Mixture)

Controlled Product

CAS: 152764-52-8

Stability Hygroscopic
Applications A novel active metabolite of the anti-cancer drug Tamoxifen (T006000).
References Furr, B., et al.: Pharmacol. Ther., 25, 127 (1984), Leonessa, F., et al.: Cancer Res., 54, 441 (1994), Stearns, V., et al.: Lancet, 360, 1851 (2002), Rae, J., et al.: Pharmacogenetics, 13, 501 (2003), Zheng, Y., et al.: Drug Metab. Dispos., 35, 1942 (2007),

Formula: C₃₁H₃₅NO₈

Color and Shape: Neat

Molecular weight: 549.61

Ref: TR-D292042

N-Desmethyl-4-hydroxy tamoxifen β-D-glucuronide

CAS: 152764-52-8

N-Desmethyl-4-hydroxy tamoxifen β-D-glucuronide is a drug product that is used as an analytical reference for the identification and quantification of Metabolites in drug metabolism studies. It is synthesized from 4-hydroxytamoxifen, which has been shown to have antiestrogenic effects and inhibit the growth of estrogen receptor (ER)-positive breast cancer cells. N-Desmethyl-4-hydroxy tamoxifen β-D-glucuronide has been shown to be a metabolite of 4-hydroxytamoxifen. This impurity standard is available in both powder and liquid form with purity levels up to 99%. It can be custom synthesized upon request, with a lead time of 5 weeks.
NDA: N/A

Formula: C₃₁H₃₅NO₈

Purity: Min. 95%

Molecular weight: 549.61 g/mol

Ref: 3D-CGA76452

(Z)-4-Hydroxy-N-Desmethyl Tamoxifen (Endoxifen) β-D-Glucuronide

CAS: 152764-52-8

Formula: C₃₁H₃₅NO₈

Molecular weight: 549.62

Ref: ST-EA-CP-T40027

(Z)-4-Hydroxy-N-Desmethyl Tamoxifen (Endoxifen) β-D-Glucuronide

CAS: 152764-52-8

Formula: C₃₁H₃₅NO₈

Molecular weight: 549.62

Ref: 4Z-T-0133