ChemicalBook--->CAS DataBase List--->31528-44-6

31528-44-6

31528-44-6 Structure

31528-44-6 Structure
IdentificationBack Directory
[Name]

MYCOPHENOLIC ACID GLUCURONIDE
[CAS]

31528-44-6
[Synonyms]

MYCOPHENOLIC ACID GLUCURONIDE
Mycophenolic Acid -D-Glucuronide
MYCOPHENOLIC ACID B-D-GLUCURONIDE
Mycophenolic Acid Glucosiduronate
Mycophenolic acid β-D-glucuronide ,98%
Mycophenolic acid-β-D-glucuronide solution
Mycophenolic acid-phenolic-beta-D-glucuronide
Mycophenolic acid-O-beta-D-glucuronide min. 97%
5-[(2E)-5-Carboxy-3-methyl-2-penten-1-yl]-1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-isobenzofuranyl -D-Glucopyranosiduronic Acid
5-[(2E)-5-Carboxy-3-methyl-2-penten-1-yl]-1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-isobenzofuranyl b-D-Glucopyranosiduronic Acid
[Molecular Formula]

C23H28O12
[MDL Number]

MFCD08063739
[MOL File]

31528-44-6.mol
[Molecular Weight]

496.46
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

98-100°C
[Boiling point ]

875.7±65.0 °C(Predicted)
[density ]

1.502±0.06 g/cm3(Predicted)
[Fp ]

2℃
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

2.76±0.70(Predicted)
[color ]

White to Pale Beige
[Stability:]

Hygroscopic
[InChIKey]

BYFGTSAYQQIUCN-HGIHDBQLSA-N
[SMILES]

COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c1C\C=C(/C)CCC(O)=O
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

A metabolite of Mycophenolic Acid, an antibiotic produced by Penicillium brevi-compactum, P. Stoloniferum and related spp. A selective inhibitor of lymphocyte proliferation by blocking inosine monoph osphate dehydrogenase, an enzyme involved in the de novo synthesis of purine nucleotides.
[General Description]

A Certified Spiking Solution? for use in therapeutic drug monitoring analyses of serum or whole blood by HPLC or LCMS. The glucuronide, also known as MPAG, is the primary metabolite of the immunosuppressant mycophenolic acid and is monitored by clinical labs to ensure patients remain within the drug′s therapeutic range.
[in vivo]

Mycophenolic acid glucuronide (intraperitoneal injection; 6 mg/mouse; once two days; 6 d) treatment reduces tumor growth in an Ehrlich murine spontaneous adenocarcinoma model[2].

Animal Model:Swiss albino strain mouse implanted with Ehrlich ascites tumor cells[2]
Dosage:6 mg/mouse
Administration:Intraperitoneal injection; 6 mg/mouse; once two days; 6 d
Result:Showed 76.8% tumor inhibition compared to the untreated control.
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-20/21/22-36
[Safety Statements ]

16-26-36/37
[RIDADR ]

UN 1648 3 / PGII
[WGK Germany ]

2
[HS Code ]

29389090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Spectrum DetailBack Directory
[Spectrum Detail]

MYCOPHENOLIC ACID GLUCURONIDE(31528-44-6)1HNMR
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