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6160-80-1, 4-Methylumbelliferyl beta-D-glucuronide dihydrate, MUG, CAS:6160-80-1

MUG
, 4-Methylumbelliferyl beta-D-glucuronide dihydrate,
CAS:6160-80-1
C16H16O9·2H2O / 388.32
MFCD00151678

4-Methylumbelliferyl b-D-glucuronide dihydrate (MUG)

4-methylumbelliferone beta-D-glucuronide is a beta-D-glucosiduronic acid having a 4-methylumbelliferyl substituent at the anomeric position. A hyaluronan synthesis inhibitor, it is anti-tumourigenic for various malignant tumours. It has a role as a chromogenic compound, an antineoplastic agent and a hyaluronan synthesis inhibitor. It is a member of coumarins, a monosaccharide derivative and a beta-D-glucosiduronic acid. It derives from a 4-methylumbelliferone. It is a conjugate acid of a 4-methylumbelliferone beta-D-glucuronide

CAS Number6160-80-1
Product Name4-Methylumbelliferyl glucuronide
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
Molecular FormulaC16H16O9
Molecular Weight352.29 g/mol
InChIInChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1
InChI KeyARQXEQLMMNGFDU-JHZZJYKESA-N
SMILESCC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
Synonyms4-Methylumbelliferone β-D-Glucuronide; 4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid; MUG;
Canonical SMILESCC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
Isomeric SMILESCC1=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


CAS No: 881005-91-0,6160-80-1 Synonyms: MUG4-Methylumbelliferyl b-D-Glucopyranosiduronic acid MDL No: MFCD00151678 Chemical Formula: C16H16O9·2H2O Molecular Weight: 388.32

COA:

Product name: 4-Methylumbelliferyl beta-D-glucuronide dihydrate

CAS: 6160-80-1            M.F.: C16H16O9.2H2O                    M.W.: 352.3 (anhydrous)

Batch No: 20130212                                                  Quantity.: 12.6g

Items

Standards

Results

Appearance

White crystal powder

Complies

Solubility

Soluble in hot DMF, insoluble in ether

Complies

Identification

IR and HPLC

Complies

Appearance of solution

Dissolve0.5gin 10mLof DMF,

and the solution should be clear

Complies

Specific rotation

( [α]22/D, c =0.25 inH2O)

-100o ~  -110o

-105.5o

Water Content

Max.15%

10.5%

Any other impurity

Max. 0.5%

Complies

Heavy metal

Max. 20ppm

Complies

Residue on ignition

Max. 0.5%

0.1%

4-Methylumbelliferone

Max. 50ppm

Complies

Assay by HPLC

Min. 98%

99.2%


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