Methotrexate-d3 diammonium

For research use only. Not for therapeutic Use.

  • CAT Number: I040049
  • Molecular Formula: C20H25D3N10O5
  • Molecular Weight: 491.52
  • Purity: ≥95%
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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.
[Content Brief]

[2]. Swierkot J, et al. Methotrexate in rheumatoid arthritis. Pharmacol Rep. 2006 Jul-Aug;58(4):473-92.
[Content Brief]

[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.

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