Name: Raltitrexed
Brand: Selleck Chemicals
SKU: S1192
Availability: InStock
Rating: 5 (15 reviews)

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Quality Control

Batch: Purity: 99.92%

99.92

Related Targets	HDAC PARP ATM/ATR DNA-PK WRN DNA/RNA Synthesis Topoisomerase PPAR Sirtuin Casein Kinase
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Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Incubation Time	Activity Description
human KB cells	Cytotoxicity assay		96 h	Cytotoxicity against human KB cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay, IC50=5.9 nM
PC43-10 cells	Function assay		96 h	Inhibition of RFC (unknown origin) expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay, IC50=6.3 nM
L1210 cell line	Growth inhibition assay			Growth inhibition of murine tumor L1210 cell line, IC50=9 nM
human IGROV1 cells	Proliferation assay			Antiproliferative activity against human RFC and FRalpha expressing human IGROV1 cells, IC50=12.6 nM
RT16 cells	Proliferation assay		96 h	Antiproliferative activity against chinese hamster RT16 cells expressing human FRalpha assessed as reduction of viable cells after 96 hrs, IC50=15 nM
chinese hamster D4 cells	Proliferation assay		96 h	Antiproliferative activity against chinese hamster D4 cells expressing human FRbeta assessed as reduction of viable cells after 96 hrs, IC50=22 nM
human KB cells	Cytotoxicity assay	200 nM	96 h	Cytotoxicity against human KB cells assessed as cell growth inhibition incubated up to 96 hrs in presence of 200 nM folic acid by Celltiter-blue cell viability assay, IC50=22 nM
R2/PCFT4 cells	Function assay		96 h	Inhibition of PCFT (unknown origin) expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay, IC50=0.0995 μM
R2 cells	Cytotoxicity assay		96 h	Cytotoxicity against chinese hamster R2 cells expressing human PCFT4 after 96 hrs by CellTitre-Blue fluorescence assay
R2 cells	Growth inhibition assay		96 h	Growth inhibition of Chinese hamster R2 cells expressing human PCFT4 after 96 hrs by CellTiter-blue assay, IC50=0.0995 μM
L1210 mouse leukemia cells	Function assay			Compound was evaluated for inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells that overproduce thymidylate synthase due to amplification of TS gene, Ki=0.418 μM
human HepG2 cells	Cytotoxicity assay		48 h	Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay, IC50=1.3 μM
SGC7901 cells	Cytotoxicity assay		48 h	Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay, IC50=8.7 μM
MCF7 cells	Cytotoxicity assay		48 h	Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay, IC50=12.6 μM
Click to View More Cell Line Experimental Data

Solubility

In vitro
Batch:

DMSO : 92 mg/mL (200.65 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.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	4.600mg/ml (10.03mM)	Taking the 1 mL working solution as an example, add 50 μL of 92 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.570mg/ml (1.24mM)	Taking the 1 mL working solution as an example, add 50 μL of 11.4 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.
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.
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	458.49	Formula	C₂₁H₂₂N₄O₆S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	112887-68-0	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	ZD-1694, ICI-D1694, D1694			Smiles	CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1

Mechanism of Action

In vitro	Raltitrexed induces a concentration-dependent amount of double-stranded DNA breaks. This compound increases the level of Bax protein up to a factor 5 in the Lovo and LS174T cell lines containing wt p53. It leads to an increase of intracellular phosphoribosyl pyrophosphate (PRPD) in the case of the HCT-8 cell line, which suggests that the cytotoxic effects of this compound combined with 5-FU may be due to the increased formation of 5-FU nucleotides. This agent combined with SN-38 results in synergistic cytotoxicity at broad dose-effect ranges in human colon cancer cells. It is actively taken up into cells and then undergoes rapid, extensive metabolism to a series of polyglutamates, which results in potent thymidylate synthase inhibition. This chemical is delivered to the brain very quickly, and could be detected at 5 min in all brain tissues. It combined folinic acid (5FU-FA) shows a clear schedule-dependent synergistic antiproliferative interaction as demonstrated by calculating combination indexes. This compound combined with Vorinostat produces synergistic effect paralleled by evident cell cycle perturbations with major S-phase arrest. It is a specific, folate-based inhibitor of thymidylate synthase with activity in advanced colorectal cancer comparable with that of fluorouracil (5-fluorouracil) plus folinic acid. Its activity is enhanced by rapid cellular entry and polyglutamation, with the polyglutamated derivatives having approximately 100-fold greater inhibitory potency than the parent compound.
In vivo	Raltitrexed could be directly transported into the brain via the olfactory pathway in rats.
References	[1] https://pubmed.ncbi.nlm.nih.gov/10785598/ [2] https://pubmed.ncbi.nlm.nih.gov/12056700/ [3] https://pubmed.ncbi.nlm.nih.gov/9607593/ [4] https://pubmed.ncbi.nlm.nih.gov/16028105/ [5] https://pubmed.ncbi.nlm.nih.gov/19270508/

Applications

Methods	Biomarkers	Images	PMID
Growth inhibition assay	Cell viability		30820189
Western blot	Cleaved caspase-3 / Bax		30820189

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT02618356	Unknown status	Metastatic Colon Cancer	Fudan University	December 25 2015	Phase 2
NCT02821559	Completed	Metastatic Colorectal Cancer	Centre Hospitalier Universitaire de Besancon\|Hospira now a wholly owned subsidiary of Pfizer	July 2012	Phase 2

Tech Support

Handling Instructions

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Raltitrexed Thymidylate Synthase inhibitor

Chemical Structure

Molecular Weight: 458.49