CAS 741693-83-4

4-{[(1S)-3-(methylamino)-1-(thiophen-2-yl)propyl]oxy}naphthalen-1-yl hexopyranosiduronic acid

Description:

The chemical substance known as "4-{[(1S)-3-(methylamino)-1-(thiophen-2-yl)propyl]oxy}naphthalen-1-yl hexopyranosiduronic acid" with CAS number 741693-83-4 is a complex organic compound characterized by its unique structural features. It contains a naphthalene moiety linked to a hexopyranosiduronic acid through an ether bond, which is indicative of its potential biological activity. The presence of a methylamino group and a thiophene ring suggests that this compound may exhibit interesting pharmacological properties, possibly influencing its interaction with biological targets. The hexopyranosiduronic acid component implies that it may participate in various biochemical processes, including those related to glycosylation. This compound's structural complexity may contribute to its solubility, stability, and reactivity, making it a subject of interest in medicinal chemistry and drug development. Overall, its unique combination of functional groups and structural elements positions it as a potentially valuable compound for further research in therapeutic applications.

Formula: C₂₄H₂₇NO₈S

InChI: InChI=1/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19?,20?,21?,22?,24?/m0/s1

SMILES: CNCC[C@@H](c1cccs1)Oc1ccc(c2ccccc12)OC1C(C(C(C(C(=O)O)O1)O)O)O

Synonyms:

• 4-Hydroxy Duloxetine -D-Glucuronide
• LY 550408
• DULOXETINE-4-HYDROXY-GLUCURONIDE
• 4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenyl b-D-Glucopyranosiduronic Acid
• 4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenyl -D-Glucopyranosiduronic Acid
• 4-Hydroxy Duloxetine β-D-Glucuronide SodiuM Salt
• 4-Hydroxy Duloxetine b-D-Glucuronide

4-Hydroxy Duloxetine β-D-Glucuronide Sodium Salt

Controlled Product

CAS: 741693-83-4

Applications A metabolite of Duloxetine.
References Lantz, R.J., et al.: Drug Dispos. Metab., 31, 1142 (2003), Detke, M., et al.: J. Clin Psy., 63, 308 (2002), Bymaster, F.P., et al.: Bioorg. Med., Chem. Lett., 13, 4477 (2003),

Formula: C₂₄H₂₆NNaO₈S

Color and Shape: Neat

Molecular weight: 511.52

Ref: TR-H941805

Duloxetine-4-hydroxy-D-glucuronide

CAS: 741693-83-4

Duloxetine-4-hydroxy-D-glucuronide is a synthetic, fluorinated derivative of duloxetine. It is an active metabolite of the antidepressant drug duloxetine and has been shown to have similar pharmacological activity. Duloxetine-4-hydroxy-D-glucuronide is prepared by click chemistry from 4-(dihydroxymethyl)benzaldehyde and 2,3,4,6-tetrabromobenzene. The product can be purified by crystallization or recrystallization from methanol. Duloxetine-4-hydroxy-D-glucuronide is a white powder that can be modified with saccharides for glycosylation or with polysaccharides for complex carbohydrate synthesis.

Formula: C₂₄H₂₇NO₈S

Purity: Min. 95%

Color and Shape: Off-white to yellow/brown solid.

Molecular weight: 489.54 g/mol

Ref: 3D-MD11747

4-Hydroxy Duloxetine-d6 β-D-Glucuronide

Controlled Product

CAS: 741693-83-4

Formula: C₂₄D₆H₂₁NO₈S

Color and Shape: Neat

Molecular weight: 495.575

Ref: TR-H941807

4-Hydroxy Duloxetine β-D-Glucuronide

CAS: 741693-83-4

Formula: C₂₄H₂₇NO₈S

Molecular weight: 489.5

Ref: ST-EA-CP-D29045