| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| Targets |
NOTA-bis(tBu)ester does not have a biological target; rather, its "activity" is chemical. It is designed to act as a powerful chelator, forming exceptionally stable, inert complexes with a wide range of metal ions, particularly the diagnostic radioisotope Gallium-68 (⁶⁸Ga) and the therapeutic isotope Lutetium-177 (¹⁷⁷Lu). The free carboxylic acid group on the molecule can be conjugated to a targeting vector, such as a peptide, antibody, or small molecule, via standard amide bond formation. Thus, it functions as a molecular bridge, linking a radioactive metal ion to a biologic molecule, enabling targeted diagnostic imaging (e.g., PET) or targeted radiotherapy.
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| ln Vitro |
The in vitro activity of NOTA-bis(tBu)ester is measured by its ability to chelate radionuclides with high yield and purity. In a typical radiochemistry experiment, the compound is dissolved in a buffer at a specific pH. A solution of radioactive metal salt (e.g., ⁶⁸GaCl3) is added, and the mixture is heated for a short period. The labeling efficiency is then determined by radio-thin layer chromatography (radio-TLC) or radio-high performance liquid chromatography (radio-HPLC). NOTA-based chelators are known to form complexes with Gallium that are highly stable, even in the presence of transferrin or other serum proteins, which is a key advantage over other chelator types.
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| Cell Assay |
As a chemical synthetic intermediate, NOTA-bis(tBu)ester is not directly used in cell-based assays for a biological effect. However, its activity can be evaluated in cells after it has been conjugated to a targeting vector and radiolabeled. In a cell uptake assay, a radiopharmaceutical synthesized using NOTA-bis(tBu)ester is added to a cell culture expressing the target of interest. After incubation, the cells are washed, and the cell-associated radioactivity is measured using a gamma counter. High cell-bound radioactivity indicates that the NOTA-chelated radiometal remains stably attached to the targeting vector and that the vector is able to bind its target, validating the function of the chelator.
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| Animal Protocol |
NOTA-bis(tBu)ester is not intended for use in animals in its free form. Instead, it is used to create radiolabeled compounds that are then administered for in vivo imaging. A typical preclinical protocol involves synthesizing a radiopharmaceutical by first reacting the bis(tBu)ester with a peptide, deprotecting the ester groups, and then performing a radiolabeling reaction with ⁶⁸Ga. The resulting ⁶⁸Ga-labeled tracer is then injected intravenously into a mouse or rat bearing a tumor xenograft. The animal is then imaged using a small-animal Positron Emission Tomography (PET) scanner. The images are analyzed to determine the tracer's biodistribution and uptake in the target tumor tissue versus healthy organs.
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| ADME/Pharmacokinetics |
As a synthetic building block, NOTA-bis(tBu)ester does not have its own pharmacokinetic (PK) profile. However, the ⁶⁸Ga-radiolabeled PET tracers synthesized from it have well-characterized PK properties. When injected intravenously, a ⁶⁸Ga-NOTA-based tracer is typically cleared rapidly from the blood. Its biodistribution depends entirely on the targeting vector it is attached to. A small peptide conjugate will have fast renal clearance, while an antibody conjugate will have slow hepatic clearance. The NOTA chelator's role is to ensure that the radioactive metal remains bound to the tracer in vivo, preventing its release and non-specific uptake in bones or other organs.
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| Toxicity/Toxicokinetics |
The toxicity of NOTA-bis(tBu)ester itself is not extensively documented, as it is a synthetic intermediate used in small quantities. The primary safety concerns relate to the toxicity of the final radiopharmaceutical. The acute toxicity of ⁶⁸Ga is low due to its short half-life and low radiation dose. For therapeutic isotopes like ¹⁷⁷Lu or ⁹⁰Y, the toxicity is primarily due to the radiation effect on the target tissue and, as an off-target effect, on the bone marrow and kidneys. The chelator NOTA is chosen specifically to minimize the release of these toxic radioactive metals into the body, thereby reducing non-target organ toxicity. As a chemical, it is an irritant.
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| References | |
| Additional Infomation |
NOTA-bis(tBu)ester is a key synthetic precursor for the development of radiopharmaceuticals. It is classified as a Research Use Only (RUO) compound. Its molecular weight is 401.5 g/mol. The tert-butyl ester protecting groups are crucial for selective chemical synthesis, as they shield the carboxylates during the conjugation reaction to a targeting molecule. These ester groups are typically removed by treatment with a strong acid, such as trifluoroacetic acid (TFA), just before the radiolabeling step. There are no clinical trials or regulatory approvals for this raw material itself. It is a tool for chemists and radiochemists to construct imaging and therapeutic agents.
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| Molecular Formula |
C20H37N3O6
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|---|---|
| Molecular Weight |
415.52
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| Exact Mass |
415.268
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| CAS # |
1161415-28-6
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| PubChem CID |
44253556
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| Appearance |
Solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
519.9±50.0 °C at 760 mmHg
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| Flash Point |
268.2±30.1 °C
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| Vapour Pressure |
0.0±2.9 mmHg at 25°C
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| Index of Refraction |
1.484
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
29
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| Complexity |
526
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(C)(C)C)C(CN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CC1)=O
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| InChi Key |
UACSRZWSADEYPK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H37N3O6/c1-19(2,3)28-17(26)14-22-9-7-21(13-16(24)25)8-10-23(12-11-22)15-18(27)29-20(4,5)6/h7-15H2,1-6H3,(H,24,25)
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| Chemical Name |
2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid
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| Synonyms |
NOTA-bis(t-Butyl ester)
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4066 mL | 12.0331 mL | 24.0662 mL | |
| 5 mM | 0.4813 mL | 2.4066 mL | 4.8132 mL | |
| 10 mM | 0.2407 mL | 1.2033 mL | 2.4066 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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