For research use only. Not for therapeutic Use.
LY-338979 (Pemetrexed 6-oxo diacid impurity) is a metabolite of LY231514 (Pemetrexed; HY-10820)[1].
| Catalog Number | R056014 |
| CAS Number | 193281-00-4 |
| Synonyms | (2S)-2-[[4-[2-(2-amino-4,6-dioxo-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid |
| Molecular Formula | C20H21N5O7 |
| Purity | ≥95% |
| InChI | InChI=1S/C20H21N5O7/c21-20-24-15-14(18(30)25-20)11(17(29)23-15)6-3-9-1-4-10(5-2-9)16(28)22-12(19(31)32)7-8-13(26)27/h1-2,4-5,11-12H,3,6-8H2,(H,22,28)(H,26,27)(H,31,32)(H4,21,23,24,25,29,30)/t11?,12-/m0/s1 |
| InChIKey | YVRHJHKPTURIID-KIYNQFGBSA-N |
| SMILES | C1=CC(=CC=C1CCC2C3=C(NC2=O)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O |
| Reference | [1]. Woodland JM, et al. Metabolism and disposition of the antifolate LY231514 in mice and dogs. Drug Metab Dispos. 1997 Jun;25(6):693-700. |
