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Methotrexate α-tert-butyl ester

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Catalog No. T72123Cas No. 79640-70-3

Methotrexate α-tert-butyl ester is a protected analog of the antineoplastic and immunosuppressive drug methotrexate (MTX), in which the β-carboxyl group of the L-glutamate moiety is esterified with a tert-butyl group. Methotrexate α-tert-butyl ester is primarily used in chemical synthesis and prodrug development studies.

Methotrexate α-tert-butyl ester

Methotrexate α-tert-butyl ester

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Catalog No. T72123Cas No. 79640-70-3
Methotrexate α-tert-butyl ester is a protected analog of the antineoplastic and immunosuppressive drug methotrexate (MTX), in which the β-carboxyl group of the L-glutamate moiety is esterified with a tert-butyl group. Methotrexate α-tert-butyl ester is primarily used in chemical synthesis and prodrug development studies.
Pack SizePriceUSA WarehouseGlobal WarehouseQuantity
1 mg$93-In Stock
5 mg$228-In Stock
10 mg$372-In Stock
25 mg$613-In Stock
50 mg$869-In Stock
100 mg$1,170-In Stock
200 mg$1,570-In Stock
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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]
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Appearance:Solid
Color:Yellow
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Product Introduction

Bioactivity
Description
Methotrexate α-tert-butyl ester is a protected analog of the antineoplastic and immunosuppressive drug methotrexate (MTX), in which the β-carboxyl group of the L-glutamate moiety is esterified with a tert-butyl group. Methotrexate α-tert-butyl ester is primarily used in chemical synthesis and prodrug development studies.
In vitro
MTX-PVG exhibits activity against HT1080 cells, the OtBu-MTX-PVG derivative(Methotrexate α-tert-butyl ester) is less active, indicating that protecting the α-carboxyl group of MTX Results in decreased in vitro activity.[1]
In vivo
In HT1080 tumor-bearing mice, Methotrexate α-tert-butyl ester significantly inhibits tumor growth. This finding suggests that protecting the α-carboxyl group of methotrexate can enhance the circulatory half-life and minimize liver accumulation for similar dendrimer conjugates without compromising their in vivo antitumor efficacy.[1]
Chemical Properties
Molecular Weight510.555
FormulaC24H30N8O5
Cas No.79640-70-3
SmilesNC=1C2=C(N=C(N)N1)N=CC(CN(C)C3=CC=C(C(N[C@H](C(OC(C)(C)C)=O)CCC(O)=O)=O)C=C3)=N2
Storage & Solubility Information
Storagestore at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Solubility Information
DMSO: 80.00 mg/mL (156.69 mM), Sonication is recommended.
Solution Preparation Table
DMSO
1mg5mg10mg50mg
1 mM1.9587 mL9.7933 mL19.5865 mL97.9326 mL
5 mM0.3917 mL1.9587 mL3.9173 mL19.5865 mL
10 mM0.1959 mL0.9793 mL1.9587 mL9.7933 mL
20 mM0.0979 mL0.4897 mL0.9793 mL4.8966 mL
50 mM0.0392 mL0.1959 mL0.3917 mL1.9587 mL
100 mM0.0196 mL0.0979 mL0.1959 mL0.9793 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:
TargetMol | Animal experiments For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent 10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH2O , the resulting working solution concentration would be 2 mg/mL.
Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSOTargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSOTargetMol | reagent stock solution to 400 μL PEG300TargetMol | reagent and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH2OTargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.
All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.
1 Enter information below:
mg/kg
g
μL
2 Enter the in vivo formulation:
% DMSO
%
% Tween 80
% Saline/PBS/ddH2O

Dose Conversion

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Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc
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