Methotrexate Triglutamate Trifluoroacetate

CAS: 41600-14-0

Ref. TR-M260725

Product Information

• Name: Methotrexate Triglutamate Trifluoroacetate
• Synonyms: N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-?-glutamyl-L-?-glutamyl-L-glutamic Acid Trifluoroacetate, 2,4-Diamino-N10-methylpteroylglutamyl-?-glutamyl-?-glutamic Acid Trifluoroacetate, 4-Amino-10-methylpteroylglutamyl-?-diglutamic Acid Trifluoroacetate, 4-Amino-10-methylpteroylglutamyl-?-glutamyl-?-glutamic Acid Trifluoroacetate, MTXPG3 Trifluoroacetate, NSC 341076 Trifluoroacetate
• CAS: 41600-14-0

Description

Applications Methotrexate Triglutamate is a metabolite of Methotrexate (M260675); 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)

• Brand: TRC

Chemical properties

• Molecular weight: 712.67
• Formula: C₃₀H₃₆N₁₀O₁₁xC₂HF₃O₂
• Color/Form: Neat
• InChI: InChI=1S/C30H36N10O10.C2HF3O2/c1-40(14-18-13-33-26-24(35-18)25(31)38-30(32)39-26)19-7-4-16(5-8-19)27(44)37-21(29(47)48)9-11-22(42)34-17(15-50-49)6-10-23(43)36-20(28(45)46)3-2-12-41;3-2(4,5)1(6)7/h4-5,7-8,12-13,17,20-21,49H,2-3,6,9-11,14H2,1H3,(H,34,42)(H,36,43)(H,37,44)(H,45,46)(H,47,48)(H4,31,32,33,38,39);(H,6,7)/t17-,20-,21-;/m0./s1
• InChI key: InChIKey=PNSJXIFDPQJURT-KXGBIOHPSA-N
• SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H]([C]OO)CCC(=O)N[C@@H](CCC=O)C(=O)O)C(=O)O)cc1.O=C(O)C(F)(F)F