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Pemetrexed disodium
- LY231514 disodium
Axon 3162
- Parent CAS: 150399-23-8
- Optical Purity: Optically pure
- Soluble in water
- MF: C20H19N5Na2O6
- MW: 471.37
Description
Pemetrexed disodium is a antifolate antimetabolite which potently inhibits dihydrofolate reductase (DHFR), thymidylate synthase (TS), and glycinamide ribonucleotide formyltransferase (GARFT) with Ki values of 7.0 nM, 109 nM and 9,300 nM, respectively. Pemetrexed disodium is active as an inhibitor of tumor growth in vitro and in vivo.
More Information
| Parent CAS No. | 150399-23-8 |
|---|---|
| Chemical Name | Sodium (S)-2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate |
| SMILES | [Na+].[Na+].N1C(=O)C2C(CCC3C=CC(C(N[C@H](C([O-])=O)CCC([O-])=O)=O)=CC=3)=CNC=2N=C1N |&1:15,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C20H21N5O6.2Na/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);;/q;2*+1/p-2/t13-;;/m0../s1 |
| InChiKey | NYDXNILOWQXUOF-GXKRWWSZSA-L |
| CID | 135413520 |
| Short Description | DHFR/TS/GARFT inhibitor |
References
- EC Taylor et al. A dideazatetrahydrofolate analogue lacking a chiral center at C-6, N-[4-[2-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5- yl)ethyl]benzoyl]-L-glutamic acid, is an inhibitor of thymidylate synthase. J Med Chem. 1992 Nov 13;35(23):4450-4.
- C Shih et al. LY231514, a pyrrolo[2,3-d]pyrimidine-based antifolate that inhibits multiple folate-requiring enzymes. Cancer Res. 1997 Mar 15;57(6):1116-23.
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