Methotrexate-d3 Pentaglutamate Trifluoroacetate (>90%)

CAS: 432545-63-6, 80801-54-3

Ref. TR-M260737

Product Information

• Name: Methotrexate-d3 Pentaglutamate Trifluoroacetate (>90%)
• Synonyms: N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-glutamic Acid-d3 Trifluoroacetate, N-[N-[N-[N-[N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-glutamic Acid-d3 Trifluoroacetate, MTXPG5-d3 Trifluoroacetate
• Brand: TRC
• Description: Applications Methotrexate-d3 Pentaglutamate is the isotope labelled analog of Methotrexate Pentaglutamate (M260735); a metabolite of Methotrexate (M260675) which is a folic acid antagonist, antineoplastic, and antirheumatic.References Freeman, M.V., J. Pharmacol. Exp. Ther., 122, 154 (1958); Weinblass, M.E., et al.: N. Engl. J. Med., 312, 818 (1985)

Chemical properties

• Molecular weight: 973.91
• Formula: C₄₀H₄₇D₃N₁₂O₁₇(C₂HF₃O₂)x
• Color/Form: Neat
• InChI: InChI=1S/C20H22N8O5.C2HF3O2/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;3-2(4,5)1(6)7/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);(H,6,7)/t13-;/m0./s1/i1D3
• InChI key: InChIKey=RVUOXUFBZCNHQE-QDCABLTNSA-N
• SMILES: O=C(O)C(F)(F)F.[2H]C([2H])([2H])N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1