CAS 86321-33-7

3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid

Description:

3-[3-Methoxy-4-(sulfooxy)phenyl]propanoic acid, with the CAS number 86321-33-7, is an organic compound characterized by its aromatic structure and functional groups. It features a propanoic acid backbone, which contributes to its acidic properties, and a phenyl ring substituted with a methoxy group and a sulfoxy group. The presence of the sulfoxy group (sulfonic acid) enhances its solubility in water and may impart significant polarity, making it useful in various biochemical applications. This compound is likely to exhibit properties typical of aromatic acids, such as moderate to strong acidity, and may participate in hydrogen bonding due to the presence of the sulfonic acid group. Its methoxy substitution can influence its reactivity and interaction with biological systems. Overall, this compound may be of interest in pharmaceutical research, particularly in the development of drugs or as a biochemical probe, due to its unique structural features and functional groups.

Formula: C₁₀H₁₂O₇S

InChI: InChI=1/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)

SMILES: COc1cc(ccc1OS(=O)(=O)O)CCC(=O)O

Synonyms:

• 3-Methoxy-4-(sulfooxy)benzenepropanoic Acid SodiuM Salt
• Dihydro Ferulic Acid 4-O-Sulfate Sodium Salt
• Dihydroferulic acid 4-O-sulfate
• 13C,2H3]-Dihydroferulic acid 4-O-sulfate
• Benzenepropanoic acid, 3-methoxy-4-(sulfooxy)-

Dihydro Ferulic Acid 4-O-Sulfate Sodium Salt

Controlled Product

CAS: 86321-33-7

Stability Very Hygroscopic!
Applications A metabolite profiling of hydroxycinnamate derivative in plasma and urine after the ingestion of coffee by humans: identification of biomarkers of coffee consumption.
References Buchanan, C., et al.: J. Sci. Food Agric., 71, 459 (1996), Andreasen, M., et al.: J. Agric. Food Chem., 49, 5679 (2001), Poquet, L., et al.: Drug Metab. Dispos., 36, 190 (2008),

Formula: C₁₀H₁₀Na₂O₇S

Color and Shape: Neat

Molecular weight: 320.23

Ref: TR-D448915

Dihydro ferulic acid 4-O-sulfate sodium salt

CAS: 86321-33-7

Dihydroferulic acid is a chlorogenic acid that has been shown to have anti-inflammatory properties in vitro and in vivo. Dihydroferulic acid has been shown to inhibit the production of pro-inflammatory cytokines, such as tumor necrosis factor alpha (TNF-α) and interleukin 10 (IL-10), in monocytic cells. This compound also inhibits the activation of toll-like receptor 4 (TLR4) and TLR2, which are receptors on immune cells that bind to bacterial lipopolysaccharides. Dihydroferulic acid has been found to be present in human urine samples, suggesting it is absorbed from dietary sources. It can also be found in wine and tea, where it may contribute to the positive health effects seen with these beverages. Protocatechuic acid is a phenolic compound with similar activity as dihydroferulic acid.

Formula: C₁₀H₁₀Na₂O₇S

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 320.23 g/mol

Ref: 3D-FD21921

Dihydro Ferulic Acid 4-O-Sulfate Bis-Sodium Salt

Controlled Product

CAS: 86321-33-7

Formula: C₁₀H₁₀Na₂O₇S

Color and Shape: Neat

Molecular weight: 320.23

Ref: TR-D268165