Pemetrexed Disodium Hydrate (Cat No.:A000117) is a novel antifolate and antimetabolite compound. It acts on several targets, including thymidylate synthase (TS), dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT), with Ki values of 1.3 nM, 7.2 nM, and 65 nM, respectively. Pemetrexed Disodium Hydrate demonstrates the ability to stimulate autophagy, a cellular process that removes damaged components and induces apoptosis, programmed cell death. These properties make it a promising candidate for cancer treatment, particularly in inhibiting the growth of tumor cells.
| Catalog Number | A000117 |
| CAS Number | 357166-30-4 |
| Synonyms | LY-231514 Disodium Hydrate |
| Molecular Formula | C20H23N5NaO7+ |
| Purity | ≥95% |
| Target | Thymidylate Synthase |
| Solubility | Soluble in Water |
| Storage | Store at -20°C |
| IUPAC Name | tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate |
| InChI | InChI=1S/2C20H21N5O6.4Na.5H2O/c2*21-20-24-16-15(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;;;;;;;;;/h2*1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;;;5*1H2/q;;4*+1;;;;;/p-4/t2*13-;;;;;;;;;/m00........./s1 |
| InChIKey | ZCTCZKWJFTYNMZ-WKUCUCPSSA-J |
| SMILES | C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+] |
