4-Methylumbelliferyl bD-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 Number |
6160-80-1 |
Product Name |
4-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 Formula |
C16H16O9 |
Molecular Weight |
352.29 g/mol |
ikB |
InChI=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 Key |
ARQXEQLMMNGFDU-JHZZJYKESA-N |
SMILES |
CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O |
Synonyms |
4-Methylumbelliferone ?-D-Glucuronide; 4-Methyl-2-oxo-2H-1-benzopyran-7-yl ?-D-Glucopyranosiduronic Acid; MUG; |
Canonical SMILES |
CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O |
Isometric 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 |
CAS No: 881005-91-0,6160-80-1 Synonyms: MUG4-Methylumbelliferyl bD-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 MF : C 16 H 16 O 9 .2H 2 O M.W.: 352.3 (anhydrous)
Batch No : 20130212 Quantity .: 12.6g
Items
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Standards
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Results
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Appearance
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white crystal powder
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Complies
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Solubility
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Soluble in hot DMF, insoluble in ether
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Complies
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Identification
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IR and HPLC
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Complies
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Appearance of solution
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Dissolve0.5gin 10mL of DMF,
and the solution should be clear
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Complies
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Specific rotation
([?] 22/D , c =0.25 inH 2 O)
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-100 o ~ -110 o
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-105.5o?
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Water Content
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Max.15%
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10.5%
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Any other impurity
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Max. 0.5%
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Complies
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Heavy metal
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Max. 20ppm
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Complies
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Residue on ignition
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Max. 0.5%
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0.1%
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4-Methylumbelliferone
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Max. 50ppm
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Complies
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Assay by HPLC
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Min. 98%
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99.2%
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