Ethyl Mycophenolate
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| Category | Others |
| Catalog number | BBF-05175 |
| CAS | 32483-51-5 |
| Molecular Weight | 348.39 |
| Molecular Formula | C19H24O6 |
| Purity | ≥95% by HPLC |
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Description
Ethyl mycophenolate is an impurity of Mycophenolic acid produced by Penicillium brevicompactum, but lacks the antifungal activity of Mycophenolic acid. It is used in cancer research to determine the antitumor activity of mycopenolic acid derivatives as a tumor inhibitor.
Specification
| Synonyms | (E)-Ethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate; Mycophenolic acid ethyl ester |
| Storage | Store at -20°C under inert atmosphere |
| IUPAC Name | ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate |
| Canonical SMILES | CCOC(=O)CCC(=CCC1=C(C(=C2COC(=O)C2=C1O)C)OC)C |
| InChI | InChI=1S/C19H24O6/c1-5-24-15(20)9-7-11(2)6-8-13-17(21)16-14(10-25-19(16)22)12(3)18(13)23-4/h6,21H,5,7-10H2,1-4H3/b11-6+ |
| InChI Key | CUWYKVMNNGRAOW-IZZDOVSWSA-N |
Properties
| Appearance | White to Off-white Solid |
| Boiling Point | 548.6±50.0°C at 760 mmHg |
| Melting Point | 95-96°C |
| Density | 1.2±0.1 g/cm3 |
| Solubility | Slightly soluble in Chloroform, Methanol |
Reference Reading
1. Synthesis and in vitro antiviral evaluation of 4-substituted 3,4-dihydropyrimidinones
Dhanabal Kumarasamy, Biswajit Gopal Roy, Joana Rocha-Pereira, Johan Neyts, Satheeshkumar Nanjappan, Subhasis Maity, Musfiqua Mookerjee, Lieve Naesens Bioorg Med Chem Lett. 2017 Jan 15;27(2):139-142. doi: 10.1016/j.bmcl.2016.12.010. Epub 2016 Dec 5.
A series of 4-substituted 3,4-dihydropyrimidine-2-ones (DHPM) was synthesized, characterized by IR, 1H NMR, 13C NMR and HRMS spectra. The compounds were evaluated in vitro for their antiviral activity against a broad range of DNA and RNA viruses, along with assessment for potential cytotoxicity in diverse mammalian cell lines. Compound 4m, which possesses a long lipophilic side chain, was found to be a potent and selective inhibitor of Punta Toro virus, a member of the Bunyaviridae. For Rift Valley fever virus, which is another Bunyavirus, the activity of 4m was negligible. DHPMs with a C-4 aryl moiety bearing halogen substitution (4b, 4c and 4d) were found to be cytotoxic in MT4 cells.
2. Synthesis, molecular modeling and antiviral activity of novel 5-fluoro-1H-indole-2,3-dione 3-thiosemicarbazones
Zekiye Şeyma Sevinçli, Gizem Nur Duran, Mehmet Özbil, Nilgün Karalı Bioorg Chem. 2020 Nov;104:104202. doi: 10.1016/j.bioorg.2020.104202. Epub 2020 Aug 26.
In this work, novel 5-fluoro-1-methyl/ethyl-1H-indole-2,3-dione 3-[4-(substituted phenyl)-thiosemicarbazones] 6a-n and 7a-n were synthesized. The antiviral effects of the compounds were tested against HSV-1 (KOS), HSV-2 (G) HSV-1 TK- KOS ACVr and VV in HEL cell cultures using acyclovir and ganciclovir as standards, and Coxsackie B4 virus in Vero cell cultures using ribavirin and mycophenolic acid as standards. R2 ethyl substituted 7 derivatives were found effective against viruses tested. R1 4-CF3 substituted 7d, R1 4-OCH3 substituted 7 g and R1 3-Cl substituted 7 l showed activity against HSV-1 (KOS), HSV-2 (G) HSV-1 TK- KOS ACVr and VV. Whereas only R1 4-Br substituted 7n has selective activity against coxsackie B4 virus. Molecular modelingstudies of 7d and 7l were performed to determine binding side on HSV-1 glycoprotein B and D, HSV-2 glycoprotein B structures.
3. Simultaneous Determination of Six Immunosuppressants in Human Whole Blood by HPLC-MS/MS Using a Modified QuEChERS Method
Min Zheng, Jianshi Song, Hua Xue, Hui Li, Kaoqi Lian Molecules. 2022 Jun 25;27(13):4087. doi: 10.3390/molecules27134087.
A high-performance liquid chromatography-tandem mass spectrometry method was established for the simultaneous determination of mycophenolic acid, mycophenolate mofetil, tacrolimus, rapamycin, everolimus and pimecrolimus in human whole blood by optimizing the QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) preparation method. Whole blood was extracted into ethyl acetate, salted out with anhydrous magnesium sulfate, and purified with ethylenediamine-N-propyl silane adsorbent. The supernatant was evaporated under nitrogen until dry and finally reconstituted in methanol. Chromatographic separation was performed on an Agilent Poroshell 120 EC-C18 column in methanol (mobile phase A)-water (optimized for 0.1% acetic acid and 10 mM ammonium acetate, mobile phase B) at a 0.3 mL·min-1 flow rate. Electrospray ionization and positive ion multiple reaction monitoring were used for detection. The time for of analysis was 13 min. The calibration curves range of tacrolimus, rapamycin, everolimus and pimecrolimus were in the range of 1-100 ng·mL-1, mycophenolate mofetil in the range of 0.1-10 ng·mL-1 and mycophenolic acid at 10-1000 ng·mL-1. All correlation coefficients were >0.993. The coefficients of variation (CV, %) for inter-day and intra-day precision were less than 10%, while the spiked recoveries were in the range of 92.1% to 116%. Our method was rapid, sensitive, specific, and reproducible for the simultaneous determination of six immunosuppressants in human whole blood. Importantly, our approach can be used to monitor drug concentrations in the blood to facilitate disease treatment.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
