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MedKoo Cat#: 577321 | Name: Methotrexate diethyl ester

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Methotrexate diethyl ester is an antineoplastic antimetabolite with immunosuppressant properties. It is an inhibitor of tetrahydrofoltae dehydrogenase and prevents the formation of tetrahydrofolate, necessary for synthesis of thymidylate, an essential component of DNA.

Chemical Structure

Methotrexate diethyl ester
Methotrexate diethyl ester
CAS#43170-88-3

Theoretical Analysis

MedKoo Cat#: 577321

Name: Methotrexate diethyl ester

CAS#: 43170-88-3

Chemical Formula: C24H30N8O5

Exact Mass: 510.2339

Molecular Weight: 510.55

Elemental Analysis: C, 56.46; H, 5.92; N, 21.95; O, 15.67

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Diethyl methotrexate; Methotrexate diethyl ester
IUPAC/Chemical Name
diethyl (4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamate
InChi Key
MZRRIAJJDAPQRO-KRWDZBQOSA-N
InChi Code
InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1
SMILES Code
CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)OCC
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 510.55 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Řiháček M, Pilatova K, Štěrba J, Pilný R, Valík D. [New Indings in Methotrexate Pharmacology -  Diagnostic Possibilities and Impact on Clinical Care]. Klin Onkol. 2015;28(3):163-70. Review. Czech. PubMed PMID: 26062617. 2: Mohamed HJ, Sorich MJ, Kowalski SM, McKinnon R, Proudman SM, Cleland L, Wiese MD. The role and utility of measuring red blood cell methotrexate polyglutamate concentrations in inflammatory arthropathies--a systematic review. Eur J Clin Pharmacol. 2015 Apr;71(4):411-23. doi: 10.1007/s00228-015-1819-x. Epub 2015 Feb 18. Review. PubMed PMID: 25687918. 3: Widemann BC, Schwartz S, Jayaprakash N, Christensen R, Pui CH, Chauhan N, Daugherty C, King TR, Rush JE, Howard SC. Efficacy of glucarpidase (carboxypeptidase g2) in patients with acute kidney injury after high-dose methotrexate therapy. Pharmacotherapy. 2014 May;34(5):427-39. doi: 10.1002/phar.1360. Epub 2013 Oct 17. PubMed PMID: 24132809; PubMed Central PMCID: PMC3990659. 4: Nogueira E, Lager F, Le Roux D, Nogueira P, Freitas J, Charvet C, Renault G, Loureiro A, Almeida CR, Ohradanova-Repic A, Machacek C, Bernardes GJ, Moreira A, Stockinger H, Burnet M, Carmo AM, Gomes AC, Preto A, Bismuth G, Cavaco-Paulo A. Enhancing Methotrexate Tolerance with Folate Tagged Liposomes in Arthritic Mice. J Biomed Nanotechnol. 2015 Dec;11(12):2243-52. PubMed PMID: 26510317. 5: Reeves D, DiDominick S, Finn S, Kim HJ, Shake A. Methotrexate Elimination When Coadministered With Levetiracetam. Ann Pharmacother. 2016 Dec;50(12):1016-1022. Epub 2016 Aug 10. PubMed PMID: 27511814. 6: Korell J, Duffull SB, Dalrymple JM, Drake J, Zhang M, Barclay ML, Stamp LK. Comparison of intracellular methotrexate kinetics in red blood cells with the kinetics in other cell types. Br J Clin Pharmacol. 2014 Mar;77(3):493-7. doi: 10.1111/bcp.12209. PubMed PMID: 23844933; PubMed Central PMCID: PMC3952723. 7: Csordas K, Hegyi M, Eipel OT, Muller J, Erdelyi DJ, Kovacs GT. Comparison of pharmacokinetics and toxicity after high-dose methotrexate treatments in children with acute lymphoblastic leukemia. Anticancer Drugs. 2013 Feb;24(2):189-97. doi: 10.1097/CAD.0b013e32835b8662. PubMed PMID: 23187460. 8: Szczerkowska-Dobosz A. [Subcutaneous methotrexate in psoriasis and psoriatic arthritis treatment]. Wiad Lek. 2016;69(4):675-679. Review. Polish. PubMed PMID: 27941209. 9: Rodin I, Braun A, Stavrianidi A, Shpigun O. A validated LC-MS/MS method for rapid determination of methotrexate in human saliva and its application to an excretion evaluation study. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Oct 15;937:1-6. doi: 10.1016/j.jchromb.2013.07.026. Epub 2013 Aug 15. PubMed PMID: 24008118. 10: Klapkova E, Kukacka J, Kotaska K, Suchanska I, Urinovska R, Prusa R. The influence of 7-OH methotrexate metabolite on clinical relevance of methotrexate determination. Clin Lab. 2011;57(7-8):599-606. PubMed PMID: 21888024. 11: Bianchi G, Caporali R, Todoerti M, Mattana P. Methotrexate and Rheumatoid Arthritis: Current Evidence Regarding Subcutaneous Versus Oral Routes of Administration. Adv Ther. 2016 Mar;33(3):369-78. doi: 10.1007/s12325-016-0295-8. Epub 2016 Feb 4. Review. PubMed PMID: 26846283; PubMed Central PMCID: PMC4833794. 12: Bertram A, Ivanyi P, Hafer C, Matthias K, Peest D, Ganser A, Schmidt BM. High cut-off dialysis as a salvage therapy option in high-dose methotrexate chemotherapy? Ann Hematol. 2014 Jun;93(6):1053-5. doi: 10.1007/s00277-013-1909-8. Epub 2013 Oct 6. PubMed PMID: 24097083. 13: Kuleva SA. [Delayed elimination of methotrexate after high-dose infusion]. Vopr Onkol. 2013;59(1):126-31. Russian. PubMed PMID: 23814840. 14: Weekly oral methotrexate therapy: raise awareness of fatal dosing errors. Prescrire Int. 2013 May;22(138):126. PubMed PMID: 23819175. 15: Brandhonneur N, Noury F, Bruyère A, Saint-Jalmes H, Le Corre P. PBPK model of methotrexate in cerebrospinal fluid ventricles using a combined microdialysis and MRI acquisition. Eur J Pharm Biopharm. 2016 Jul;104:117-30. doi: 10.1016/j.ejpb.2016.04.012. Epub 2016 Apr 30. PubMed PMID: 27142258. 16: Bauters T, Lammens T, Belin P, Benoit Y, Robays H, de Moerloose B. Delayed elimination of methotrexate by cola beverages in a pediatric acute lymphoblastic leukemia population. Leuk Lymphoma. 2013 May;54(5):1094-6. doi: 10.3109/10428194.2012.737918. Epub 2012 Nov 15. PubMed PMID: 23061529. 17: Tamura R, Nakamura Y, Kuroshima Y. Arthrorheumatism with methotrexate-associated lymphoproliferative disorder in the brain. J Neurosurg Sci. 2016 Sep;60(3):400-401. PubMed PMID: 28097831. 18: Ganti V, Walker EA, Nagar S. Pharmacokinetic application of a bio-analytical LC-MS method developed for 5-fluorouracil and methotrexate in mouse plasma, brain and urine. Biomed Chromatogr. 2013 Aug;27(8):994-1002. doi: 10.1002/bmc.2893. Epub 2013 Mar 12. PubMed PMID: 23494628; PubMed Central PMCID: PMC4347818. 19: Singh VK, Subudhi BB. Development and characterization of lysine-methotrexate conjugate for enhanced brain delivery. Drug Deliv. 2016 Sep;23(7):2327-2337. Epub 2014 Dec 5. PubMed PMID: 25475953. 20: Woolf RT, West SL, Arenas-Hernandez M, Hare N, Peters van Ton AM, Lewis CM, Marinaki AM, Barker JN, Smith CH. Methotrexate polyglutamates as a marker of patient compliance and clinical response in psoriasis: a single-centre prospective study. Br J Dermatol. 2012 Jul;167(1):165-73. doi: 10.1111/j.1365-2133.2012.10881.x. PubMed PMID: 22309614.