CAS 98649-76-4

β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate]

Description:

β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate] is a complex organic compound characterized by its glucuronic acid backbone, which is a derivative of glucose. This compound features a pyranose ring structure, indicative of its cyclic form, and includes a carboxylic acid functional group that contributes to its solubility and reactivity. The presence of the α-methyl-4-(2-methylpropyl)benzeneacetate moiety suggests that it has hydrophobic characteristics due to the aromatic and aliphatic components, which may influence its interactions in biological systems. This compound is likely to exhibit properties typical of glucuronic acid derivatives, such as participation in conjugation reactions, which are important in drug metabolism and detoxification processes. Additionally, its specific stereochemistry, denoted by the (αS) configuration, may affect its biological activity and binding affinity to various receptors or enzymes. Overall, this compound represents a unique combination of hydrophilic and hydrophobic characteristics, making it of interest in pharmaceutical and biochemical research.

Formula: C₁₉H₂₆O₈

InChI: InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10-,13-,14-,15+,16-,19-/m0/s1

InChI key: InChIKey=ABOLXXZAJIAUGR-LEBSGKMFSA-N

SMILES: O(C([C@@H](C)C1=CC=C(CC(C)C)C=C1)=O)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O

Synonyms:

• β-D-Glucopyranuronic acid, 1-[α-methyl-4-(2-methylpropyl)benzeneacetate], (S)-
• (S)-Ibuprofen glucuronide
• β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate]
• beta-D-Glucopyranuronic acid 1-[(alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate]
• (S)-Ibuprofen-acyl-beta-D-glucuronide
• Dexibuprofen-acyl-β-D-glucuronide
• (S)-IBUPROFEN ACYL-Β-D-GLUCURONIDE
• Dexibuprofen-acyl-beta-D-glucuronide min. 95%
• Dexibuprofen acyl-β-D-glucuronide

Dexibuprofen acyl-β-D-glucuronide

CAS: 98649-76-4

Ref: 7W-GC5559

Dexibuprofen-acyl-β-D-glucuronide

CAS: 98649-76-4

Dexibuprofen-acyl-β-D-glucuronide

Purity: >95%

Molecular weight: 382.40g/mol

Ref: 54-BICL4061

Dexibuprofen-acyl-b-D-glucuronide

CAS: 98649-76-4

Dexibuprofen-acyl-b-D-glucuronide is a complex carbohydrate that is synthesized by the acylation of dexibuprofen with b-D-glucuronic acid. The complex is then modified to increase its water solubility and stability. Dexibuprofen-acyl-b-D-glucuronide has been shown to have antiinflammatory activity in mice, which may be due to its ability to inhibit prostaglandin synthesis.

Formula: C₁₉H₂₆O₈

Purity: Min. 95%

Molecular weight: 382.4 g/mol

Ref: 3D-MD44741

(S)-Ibuprofen acyl-β-D-glucuronide

CAS: 98649-76-4

(S)-Ibuprofen acyl-β-D-glucuronide ((S)-Ibuprofen glucuronide) serves as a crucial analytical tool in examining the metabolic pathways and pharmacokinetic profile of S-ibuprofen, a widely used non-steroidal anti-inflammatory drug. This compound is specifically an acylglucuronic acid metabolite of S-ibuprofen, synthesized primarily in the liver [1].

Formula: C₁₉H₂₆O₈

Molecular weight: 382.4

Ref: TM-T85364