454126

Methotrexate

≥98% (HPLC), solid, thymidylate synthetase inhibitor, Calbiochem^®

• Synonym(s): Methotrexate
• Empirical Formula (Hill Notation): C₂₀H₂₂N₈O₅ · 3H₂O
• CAS Number: 59-05-2
• Molecular Weight: 508.49
• MDL number: MFCD00599529
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Product Name: Methotrexate,
• description: Merck USA index - 14, 5985
• Quality Level: 100
• assay: ≥98% (HPLC)
• form: solid
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; protect from light
• color: yellow
• solubility: DMSO: 100 mg/mL
• shipped in: ambient
• storage temp.: 2-8°C
• SMILES string: N([C@@H](CCC(=O)O)C(=O)O)C(=O)c1ccc(cc1)N(Cc2nc3c(nc(nc3N)N)nc2)C
• 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
• InChI key: FBOZXECLQNJBKD-ZDUSSCGKSA-N

Description

General description

Inhibits thymidylate synthetase, is a nonselective de novo purine synthesis inhibitor and has a significant toxicity profile including hepatotoxicity, pneumonitis and bone marrow suppression. Potent folic acid antagonist. Induces apoptosis in HL-60 human leukemia cells. Also useful as an anti-tumor agent.

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Other Notes

Due to the nature of the Hazardous Materials in this shipment, additional shipping charges may be applied to your order. Certain sizes may be exempt from the additional hazardous materials shipping charges. Please contact your local sales office for more information regarding these charges.

Kaufman, S.H., et al. 1993. Cancer Res.53, 3976.
Takasuga, A., et al. 1992. J. Biochem.112, 652.
Hirata, S., et al. 1989. Arthritis Rheum. 32, 1065.
Jolivet, J., et al. 1983. New Engl. J. Med. 309, 1094.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Toxic (F)

Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H301,H341,H360D,H372
• pcodes: P202 - P260 - P264 - P280 - P301 + P310 - P405
• Hazard Classifications: Acute Tox. 3 Oral - Muta. 2 - Repr. 1B - STOT RE 1
• target_organs: Liver,Bone marrow
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable