4-Methylumbelliferyl glucuronide

Base Information

• Chemical Name: 4-Methylumbelliferyl glucuronide
• CAS No.: 6160-80-1
• Deprecated CAS: 30138-68-2,84434-84-4,1049980-85-9
• Molecular Formula: C16H16O9
• Molecular Weight: 352.298
• Hs Code.: 29329990
• European Community (EC) Number: 228-186-0
• DSSTox Substance ID: DTXSID10891502
• Nikkaji Number: J211.426G
• Wikidata: Q27105523
• Metabolomics Workbench ID: 67981
• ChEMBL ID: CHEMBL1592343
• Mol file: 6160-80-1.mol

Synonyms:4-methylumbelliferyl glucuronide;4-methylumbelliferyl-beta-D-glucuronide;4-MUG;hymecromone glucuronide

Chemical Property of 4-Methylumbelliferyl glucuronide

Chemical Property:

• Appearance/Colour: white to off-white powder.
• Vapor Pressure: 1.35E-19mmHg at 25°C
• Melting Point: 102 °C
• Boiling Point: 683.106 °C at 760 mmHg
• PKA: 2.76±0.70(Predicted)
• Flash Point: 254.961 °C
• PSA: 146.66000
• Density: 1.632 g/cm₃
• LogP: -0.62760
• Storage Temp.: −20°C
• Sensitive.: Moisture Sensitive
• Solubility.: Methanol (Slightly), Water (Slightly)
• Water Solubility.: slightly soluble
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 352.07943208
• Heavy Atom Count: 25
• Complexity: 574

Purity/Quality:

98%, ^*data from raw suppliers

4-Methylumbelliferyl b-D-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 22-40
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
• Description: 4-Methylumbelliferyl-beta-D-glucuronide is a fluorescent substrate of β-glucuronidase. Once cleaved, 4-Methylumbelliferyl-beta-D-glucuronide yields blue fluorescence seen under UV light which is pH-dependent with excitation maxima of 320 and 360 nm at low (1.97-6.72) and high (7.12-10.3) pH, respectively. It is ideal for working with Escherichia coli and plant molecular studies.
• Uses: 4-Methylumbelliferyl-beta-D-glucuronide is a substrate for glucuronidase. Also used as a test for coliform bacteria in water. Fluorescence: max. Abs. 316nm; max. Em. 375nm; e x 10-3: 12 Substrate for ?-D-glucuronidase assay. MUG is widely used as component of selective microbial culture media. 4-Methylumbelliferyl β-D-glucuronide dihydrate is a useful building block and a fluorophore.

Technology Process of 4-Methylumbelliferyl glucuronide

There total 15 articles about 4-Methylumbelliferyl glucuronide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

methyl (4′-methylumbelliferyl 2,3,4-tri-O-acetyl-β-D-glucopyranosid)urinate (101014-65-7) → 4-methylumbelliferyl-β-D-glucuronide (6160-80-1,84434-84-4)

Guidance literature:

With water; potassium carbonate; In methanol; dichloromethane; at 0 - 5 ℃; for 12h;

Reference yield: 85.0%

4-methylumbelliferyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronic acid (937018-37-6) → 4-methylumbelliferyl-β-D-glucuronide (6160-80-1,84434-84-4)

Guidance literature:

With barium methoxide; In methanol; at 0 - 5 ℃; for 24h;

DOI:10.1055/s-2007-967972

Reference yield: 75.0%

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + UDP-glucuronic acid (2616-64-0) → 4-methylumbelliferyl-β-D-glucuronide (6160-80-1,84434-84-4)

Guidance literature:

With UGT₈₈D₄; In aq. buffer; at 30 ℃; for 12h; Reagent/catalyst; Solvent; Enzymatic reaction;

DOI:10.1021/acs.jafc.9b01769

upstream raw materials:

4-methylumbelliferyl β-D-glucopyranoside

7-hydroxy-4-methyl-chromen-2-one

UDP-glucuronic acid

methyl 4-methylcoumarin-7-yl-β-D-glucopyranuronate

Downstream raw materials:

7-hydroxy-4-methyl-chromen-2-one

D-glucuronic acid

6-hydroxy-4-methyl-chromen-2-one

methyl 4-methylcoumarin-7-yl-β-D-glucopyranuronate

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