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

MedKoo CAT#: 100610

CAS#: 59-05-2 (free acid)

Description: Methotrexate is an antimetabolite and antifolate agent with antineoplastic and immunosuppressant activities. Methotrexate binds to and inhibits the enzyme dihydrofolate reductase, resulting in inhibition of purine nucleotide and thymidylate synthesis and, subsequently, inhibition of DNA and RNA syntheses. Methotrexate also exhibits potent immunosuppressant activity although the mechanism(s) of actions is unclear.

Chemical Structure

CAS# 59-05-2 (free acid)

Theoretical Analysis

MedKoo Cat#: 100610
Name: Methotrexate
CAS#: 59-05-2 (free acid)
Chemical Formula: C20H22N8O5
Exact Mass: 454.17132
Molecular Weight: 454.44
Elemental Analysis: C, 52.86; H, 4.88; N, 24.66; O, 17.60

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Size Price Availability Quantity
1.0g USD 150.0 Same day
5.0g USD 550.0 Same day
20.0g USD 1450.0 Same day
50.0g USD 1950.0 Same day
100.0g USD 2650.0 Same day
200.0g USD 3650.0 Same day
500.0g USD 4950.0 Same day
1.0kg USD 6450.0 Same day
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Related CAS #: 7413-34-5 (disodium)   7532-09-4 (monosodium)   59-05-2 (free acid)   6745-93-3 (hydrate)   15475-56-6 (sodium)    

Synonym: CL14377; CL-14377; CL 14377; WR19039; WR-19039; WR 19039; MTX; Methotrexate; alphamethopterin; amethopterin; methylaminopterin.

IUPAC/Chemical Name: (S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid.


InChi Code: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

SMILES Code: O=C(O)[C@@H](NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O)CCC(O)=O

Appearance: Yellow to orange crystalline 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: Soluble in DMSO, DMF, and PBS

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

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

Preparing Stock Solutions

The following data is based on the product molecular weight 454.44 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

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1: Hope HF, Bluett J, Barton A, Hyrich KL, Cordingley L, Verstappen SM. Psychological factors predict adherence to methotrexate in rheumatoid arthritis; findings from a systematic review of rates, predictors and associations with patient-reported and clinical outcomes. RMD Open. 2016 Jan 20;2(1):e000171. doi: 10.1136/rmdopen-2015-000171. eCollection 2016. Review. PubMed PMID: 26848403; PubMed Central PMCID: PMC4731843.

2: Li D, Yang Z, Kang P, Xie X. Subcutaneous administration of methotrexate at high doses makes a better performance in the treatment of rheumatoid arthritis compared with oral administration of methotrexate: A systematic review and meta-analysis. Semin Arthritis Rheum. 2015 Dec 1. pii: S0049-0172(15)00282-6. doi: 10.1016/j.semarthrit.2015.11.004. [Epub ahead of print] Review. PubMed PMID: 26686022.

3: Hess JA, Khasawneh MK. Cancer metabolism and oxidative stress: Insights into carcinogenesis and chemotherapy via the non-dihydrofolate reductase effects of methotrexate. BBA Clin. 2015 Feb 7;3:152-61. doi: 10.1016/j.bbacli.2015.01.006. eCollection 2015 Jun. Review. PubMed PMID: 26674389; PubMed Central PMCID: PMC4661551.

4: Scherkenbach LA, Stumpf JL. Methotrexate for the Management of Crohn's Disease in Children. Ann Pharmacother. 2016 Jan;50(1):60-9. doi: 10.1177/1060028015613527. Epub 2015 Oct 27. Review. PubMed PMID: 26511908.

5: Pincus T, Bergman MJ, Yazici Y. Limitations of clinical trials in chronic diseases: is the efficacy of methotrexate (MTX) underestimated in polyarticular psoriatic arthritis on the basis of limitations of clinical trials more than on limitations of MTX, as was seen in rheumatoid arthritis? Clin Exp Rheumatol. 2015 Sep-Oct;33(5 Suppl 93):S82-93. Epub 2015 Oct 15. Review. PubMed PMID: 26472658.

6: Ianculescu I, Weisman MH. The role of methotrexate in psoriatic arthritis: what is the evidence? Clin Exp Rheumatol. 2015 Sep-Oct;33(5 Suppl 93):S94-7. Epub 2015 Oct 15. Review. PubMed PMID: 26470718.

7: Chen XM, Huang RY, Huang QC, Chu YL, Yan JY. Systemic Review and Meta-Analysis of the Clinical Efficacy and Adverse Effects of Zhengqing Fengtongning Combined with Methotrexate in Rheumatoid Arthritis. Evid Based Complement Alternat Med. 2015;2015:910376. doi: 10.1155/2015/910376. Epub 2015 Aug 24. Review. PubMed PMID: 26379753; PubMed Central PMCID: PMC4561327.

8: Sheĭkh ZhV, Krutskevich AO, Drebushevskiĭ NS, Shvaĭko SN, Dunaev AP, Alekseev VG. [Pulmonary cytotoxicity induced by bleomycin and methotrexate]. Vestn Rentgenol Radiol. 2015 May-Jun;(3):46-51. Review. Russian. PubMed PMID: 26302622.

9: Wang Y, MacDonald JK, Vandermeer B, Griffiths AM, El-Matary W. Methotrexate for maintenance of remission in ulcerative colitis. Cochrane Database Syst Rev. 2015 Aug 11;8:CD007560. doi: 10.1002/14651858.CD007560.pub3. Review. PubMed PMID: 26263042.

10: Bateman DN, Page CB. Antidotes to coumarins, isoniazid, methotrexate and thyroxine, toxins that work via metabolic processes. Br J Clin Pharmacol. 2015 Aug 9. doi: 10.1111/bcp.12736. [Epub ahead of print] Review. PubMed PMID: 26255881.

11: Evrard J, Farnier E, Carcel C, Lachenal F, Vial T, Pont E. [Proton Pump Inhibitor and High-dose Methotrexate: Two Cases Reports]. Therapie. 2015 Nov-Dec;70(6):527-35. doi: 10.2515/therapie/2015047. Epub 2015 Aug 4. Review. French. PubMed PMID: 26242498.

12: Capmas P, Fernandez H. Effectiveness of gefitinib in combination with methotrexate in the treatment of ectopic pregnancy. Int J Womens Health. 2015 Jul 3;7:673-6. doi: 10.2147/IJWH.S55556. eCollection 2015. Review. PubMed PMID: 26170723; PubMed Central PMCID: PMC4498725.

13: Scott M. Question 1: Role of methotrexate in severe atopic eczema in children. Arch Dis Child. 2015 Aug;100(8):803-6. doi: 10.1136/archdischild-2015-308917. Epub 2015 Jun 30. Review. PubMed PMID: 26130381.

14: 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.

15: Cheung VY. Local Methotrexate Injection as the First-line Treatment for Cesarean Scar Pregnancy: Review of the Literature. J Minim Invasive Gynecol. 2015 Jul-Aug;22(5):753-8. doi: 10.1016/j.jmig.2015.04.008. Epub 2015 Apr 15. Review. PubMed PMID: 25889882.

16: Park MJ. Prolonged response of meningeal carcinomatosis from non-small cell lung cancer to salvage intrathecal etoposide subsequent to failure of first-line methotrexate: a case report and literature review. Am J Case Rep. 2015 Apr 16;16:224-7. doi: 10.12659/AJCR.894061. Review. PubMed PMID: 25879815; PubMed Central PMCID: PMC4407681.

17: Pastore S, Stocco G, Favretto D, De Iudicibus S, Taddio A, d'Adamo P, Malusà N, Addobbati R, Decorti G, Lepore L, Ventura A. Genetic determinants for methotrexate response in juvenile idiopathic arthritis. Front Pharmacol. 2015 Mar 23;6:52. doi: 10.3389/fphar.2015.00052. eCollection 2015. Review. PubMed PMID: 25852556; PubMed Central PMCID: PMC4369651.

18: Yélamos O, Puig L. Systemic methotrexate for the treatment of psoriasis. Expert Rev Clin Immunol. 2015 May;11(5):553-63. doi: 10.1586/1744666X.2015.1026894. Epub 2015 Mar 16. Review. PubMed PMID: 25779551.

19: Conway R, Low C, Coughlan RJ, O'Donnell MJ, Carey JJ. Methotrexate use and risk of lung disease in psoriasis, psoriatic arthritis, and inflammatory bowel disease: systematic literature review and meta-analysis of randomised controlled trials. BMJ. 2015 Mar 13;350:h1269. doi: 10.1136/bmj.h1269. Review. PubMed PMID: 25770113; PubMed Central PMCID: PMC4358852.

20: Kaur S, Arora AK, Sekhon JS, Sood N. Nilotinib-induced psoriasis in a patient of chronic myeloid leukemia responding to methotrexate. Indian J Dermatol Venereol Leprol. 2015 Mar-Apr;81(2):216-8. doi: 10.4103/0378-6323.152311. Review. PubMed PMID: 25751356.

Additional Information