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Chemical Structure| 357166-29-1 Chemical Structure| 357166-29-1

Structure of 357166-29-1

Chemical Structure| 357166-29-1

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Pemetrexed disodium heptahydrate is a novel antifolate with Ki values for its pentaglutamate form being 1.3 nM for thymidylate synthase (TS), 7.2 nM for dihydrofolate reductase (DHFR), and 65 nM for glycinamide ribonucleotide formyltransferase (GARFT).

Synonyms: LY231514 disodium heptahydrate; Pemetrexed(sodium salt hydrate)

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Product Details of Pemetrexed disodium heptahydrate

CAS No. :357166-29-1
Formula : C20H33N5Na2O13
M.W : 597.48
SMILES Code : O=C([O])CC[C@@H](C([O-])=O)NC(C1=CC=C(CCC2=CNC(N=C(N)N3)=C2C3=O)C=C1)=O.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Na+].[Na]
Synonyms :
LY231514 disodium heptahydrate; Pemetrexed(sodium salt hydrate)
MDL No. :MFCD09029394
InChI Key :QJVSMHJWAOSBMD-MYXYZBIASA-L
Pubchem ID :135564751

Safety of Pemetrexed disodium heptahydrate

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Isoform Comparison

Biological Activity

In Vitro:

Cell Line
Concentration Treated Time Description References
CL141 lung cancer cells 100 nM 24 hours To determine the effect of pemetrexed on PD-L1 expression and T cell activation J Immunother Cancer. 2020 Nov;8(2):e001392.
A549 cells 250 nM 48 hours Enhanced PD-L1 and HLA-G expression and glycosylation, and increased CTL cytotoxicity against A549 cells Cancer Sci. 2023 Jul;114(7):2761-2773.
H1975 cells 50 nM 48 hours Enhanced PD-L1 and HLA-G expression and glycosylation, and increased CTL cytotoxicity against H1975 cells Cancer Sci. 2023 Jul;114(7):2761-2773.

In Vivo:

Species
Animal Model
Administration Dosage Frequency Description References
Mice Syngeneic mouse models Intraperitoneal injection 50 mg/kg Every 4 days for two cycles To evaluate the combination effect of pemetrexed and anti-PD-L1 antibody on tumor growth inhibition J Immunother Cancer. 2020 Nov;8(2):e001392.
NOD.Cg-PrkdcSCID/ll2rgtm1vst/Vst (NPG) mice A549-Luc xenograft model Tail vein injection 50 mg/kg Once weekly for 2 weeks Pemetrexed combined with dual immune checkpoint blockade (anti-PD-L1 and anti-HLA-G) significantly promoted CTL-mediated cytotoxicity and inhibited tumor growth Cancer Sci. 2023 Jul;114(7):2761-2773.

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

1.67mL

0.33mL

0.17mL

8.37mL

1.67mL

0.84mL

16.74mL

3.35mL

1.67mL

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