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Pemetrexed Thymidylate Synthase inhibitor

Name: Pemetrexed
Brand: Selleck Chemicals
SKU: S5971
Availability: InStock
Rating: 5 (34 reviews)

Cat.No.S5971

Pemetrexed (LY231514) is a novel antifolate and antimetabolite for thymidylate synthase (TS), dihydrofolate reductase (DHFR) and glycinamide ribonucleotide formyltransferase (GARFT) with Ki of 1.3 nM, 7.2 nM and 65 nM in cell-free assays, respectively. This compound induces autophagy and apoptosis.

Chemical Structure

Molecular Weight: 427.41

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Quality Control

Batch: Purity: 99.59%

99.59

Related Targets	Bcl-2 Caspase PD-1/PD-L1 Ferroptosis p53 Apoptosis related Synthetic Lethality STAT TNF-alpha Ras
Other Thymidylate Synthase Inhibitors	Raltitrexed

Solubility

In vitro
Batch:

DMSO : 85 mg/mL (198.87 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	10.000mg/ml (23.40mM)	Taking the 1 mL working solution as an example, add 50 μL of 200 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg

Average weight of animals: g

Dosing volume per animal: μL

Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO

% Tween 80

% ddH₂O

% DMSO

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight	427.41	Formula	C₂₀H₂₁N₅O₆	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	137281-23-3	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	LY231514			SMILES	NC1=NC(=O)C2=C([NH]C=C2CCC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N1

Read more about storage stability stock solution CAS number SMILES

Mechanism of Action

Targets/IC₅₀/Ki	Thymidylate synthase (Cell-free assay) 1.3 nM(Ki) DHFR (Cell-free assay) 7.2 nM(Ki) GARFT (Cell-free assay) 65 nM(Ki)
In vitro	Osimertinib+pemetrexed treatment delays the emergence of resistance relative to monotherapy in vitro, also down-regulates the expression of the anti-apoptotic gene PLK1 in PC-9 and H1975.
In vivo	The combination of omepetinib and pemetrexed enhances apoptosis via a PLK1 signaling pathway, and the anti-tumor effect against xenografts harboring the EGFR mutation in vivo.
References	[1] https://pubmed.ncbi.nlm.nih.gov/9067281/ [2] https://pubmed.ncbi.nlm.nih.gov/22532243/ [3] https://pubmed.ncbi.nlm.nih.gov/10741729/ [4] https://pubmed.ncbi.nlm.nih.gov/35093869/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2026-09-04)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT06096844	RECRUITING	Advanced Lung Non-Small Cell Carcinoma; Stage IIIB Lung Cancer AJCC v8; Stage IIIC Lung Cancer AJCC v8; Stage IV Lung Cancer AJCC v8	National Cancer Institute (NCI)	2024-07-19	PHASE3
NCT04198766	RECRUITING	Solid Tumor; Non-Small Cell Lung Cancer; Head and Neck Cancer; Melanoma; Gastric Cancer; Renal Cell Carcinoma; Urothelial Carcinoma; Resectable Non-Small-Cell Lung Cancer	Inhibrx Biosciences, Inc	2019-12-10	PHASE1; PHASE2
NCT07642024	RECRUITING	Non-small Cell Lung Cancer	Sichuan Baili Pharmaceutical Co., Ltd.	2026-07-24	PHASE2; PHASE3
NCT06731907	RECRUITING	Non-small Cell Lung Cancer	Merck Sharp & Dohme LLC	2025-03-30	PHASE2
NCT04165070	RECRUITING	Carcinoma, Non-Small-Cell Lung	Merck Sharp & Dohme LLC	2019-12-19	PHASE1; PHASE2
NCT06788912	RECRUITING	Lung Neoplasm Malignant	Merck Sharp & Dohme LLC	2025-03-20	PHASE2

Tech Support

Handling Instructions

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