CAS 137281-23-3 appears in our catalog under these names: Pemetrexed, N-(4-(2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-L-glutamic Acid, >95% (HPLC), Pemetrexed/ 100%, Pemetrexed, >98.0%(HPLC)(T), Pemetrexed - Bio-X â„¢. Offered by: Chemat Brand, TRC, TargetMol, Biosynth, TCI. Available pack sizes: on request, 2,5g, 250mg, 25mg, 50mg, 100mg, 200mg, 500mg.
Pemetrexed is an N-acylglutamic acid in which the N-acyl group is specified as 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). It has a role as an antimetabolite, an antineoplastic agent, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an EC 2.1.1.45 (thymidylate synthase) inhibitor and an EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor. It is a N-acyl-L-glutamic acid and a pyrrolopyrimidine. It is a conjugate acid of a pemetrexed(2-).
Source: ChEBI
| Molecular formula | C20H21N5O6 |
|---|---|
| Molecular weight | 427.4 g/mol |
| IUPAC name | (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid |
| InChIKey | WBXPDJSOTKVWSJ-ZDUSSCGKSA-N |
| SMILES | C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
Computed by PubChem (NCBI)