2H-1-Benzopyran-2-one, 4-methyl-7-(sulfooxy)-, potassium salt

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 4-methyl-7-(sulfooxy)-, potassium salt
• CAS No.: 15220-11-8
• Molecular Formula: C10H7KO6S
• Molecular Weight: 256.2319
• Hs Code.: 29322090
• European Community (EC) Number: 239-272-2
• DSSTox Substance ID: DTXSID8065870
• Nikkaji Number: J218.381A
• Mol file: 15220-11-8.mol

Synonyms:4-methylumbelliferone sulfate;4-methylumbelliferyl sulfate;4-methylumbelliferyl sulfate, potassium salt;hymecromone sulfate

Chemical Property of 2H-1-Benzopyran-2-one, 4-methyl-7-(sulfooxy)-, potassium salt

Chemical Property:

• Appearance/Colour: WHITE POWDER
• Melting Point: 287-290°C
• PSA: 105.02000
• Density: 1.59 g/cm³
• LogP: 2.02120
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Water Solubility.: Soluble in water at 5mg/ml
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 293.96004060
• Heavy Atom Count: 18
• Complexity: 452

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methylumbelliferyl Sulfate, Potassium Salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)[O-].[K+]
• Uses: Met-enkephalin analog found in opioid extracts of brain and adrenal chromaffin cells that is an artifact generated by trichloroacetic acid extraction. MUS is used as a fluorimetric substrate for arylsulphatase enzyme. Subsitution of the hydroxyl group of 4-Methylumbelliferyl sulfate potassium salt causes the excitation wavelength of the umbelliferone to shift to shorter values and also brings about a decrease in fluorescence. Fluorescence: max. Abs = 334 mm; max. Em. = 370 mm 4-Methylumbelliferyl sulfate potassium salt is a fluorometric substrate for the determination of sulfatase. This substrate has been used in the discovery of tyrosine sulfotransferase inhibitors, particularly in P-selectin glycoprotein ligand-1 binding. This compound is virtually non-fluorescent until cleavage by sulfatase enzymes, then emits blue fluorescence (450 nm) with excitation at 360 nm. Use of this compound in high-throughput fluorescence based screening led to the discovery of several potent beta-arylsulfotransferase IV (beta-AST-IV) inhibitors.