Pemetrexed Disodium Heptahydrate

• CAT Number: R015465
• CAS Number: 357166-29-1
• Molecular Formula: C20H33N5Na2O13
• Molecular Weight: 597.486
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrate
• InChI: InChI=1S/C20H21N5O6.2Na.7H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1
• InChIKey: QJVSMHJWAOSBMD-MYXYZBIASA-L
• SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+]

Pemtrexed disodium is the disodium salt of a synthetic pyrimidine-based antifolate. Pemetrexed binds to and inhibits the enzyme thymidylate synthase (TS) which catalyses the methylation of 2/’-deoxyuridine-5/’-monophosphate (dUMP) to 2/’-deoxythymidine-5/’-monophosphate (dTMP), an essential precursor in DNA synthesis.

Reference

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