For research use only. Not for therapeutic Use.
Methotrexate-d₃ Diammonium (Cat No.: I040049) is a deuterium-labeled form of methotrexate, a potent antifolate drug used in cancer, autoimmune disease, and metabolic research. This isotopically labeled compound is primarily utilized in pharmacokinetic, metabolic, and drug distribution studies, enabling precise tracking in biological systems via mass spectrometry. It inhibits dihydrofolate reductase (DHFR), disrupting DNA synthesis and cell proliferation. The diammonium salt enhances solubility and stability for in vitro and in vivo applications, making it a valuable tool in drug metabolism and therapeutic monitoring.
| Synonyms | azane;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid |
| Molecular Formula | C20H25D3N10O5 |
| Purity | ≥95% |
| InChI | InChI=1S/C20H22N8O5.2H3N/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);2*1H3/t13-;;/m0../s1/i1D3;; |
| InChIKey | ZMZDTPOFPGUYID-OISXYQELSA-N |
| 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.N.N |
| Reference | [1]. Tian H, et al. Understanding the mechanisms of action of methotrexate: implications for the treatment of rheumatoid arthritis. Bull NYU Hosp Jt Dis. 2007;65(3):168-73. [2]. Swierkot J, et al. Methotrexate in rheumatoid arthritis. Pharmacol Rep. 2006 Jul-Aug;58(4):473-92. [3]. Ehab Tousson, et al. The Effect of L-carnitine on Amethopterin-induced Toxicity in Rat Large Intestine. Journal of Cancer Research and Treatment, 2014 2 (3), pp 55-63. |
