CAS No. 59-05-2

Batch: Purity:99.79
Methotrexate Chemical Structure
Chemical Structure
Check the Methotrexate product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
CAS Number 59-05-2
Molecular Formula

C20H22N8O5

Molecular Weight (MW) 454.44
SMILES CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChIKey FBOZXECLQNJBKD-ZDUSSCGKSA-N

Biological Activity

Methotrexate is an antimetabolite and antifolate compound that competitively inhibits dihydrofolate reductase (DHFR). By forming an inactive ternary complex with DHFR and NADPH, it blocks the synthesis of purine nucleotides and thymidylate, thereby impairing DNA and RNA syntheses. Consequently, methotrexate disrupts essential metabolic pathways in proliferating cells, leading to inhibition of cell growth and induction of apoptosis. [1][2]

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 91 mg/mL (200.24 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water Insoluble
Ethanol Insoluble
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Free Aliquotting Service

Pre-aliquoted for Longevity: Solid-state aliquots offer longer shelf life compared to stock solutions.

Looking for a specific aliquot size? Contact your local sales representative or orders@selleckchem.com.

Reference

Jump to

Note: Technical data last updated: Sep 1, 2026.