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| Other Sizes |
| Targets |
Tetraxetan is a macrocyclic chelating agent that forms stable coordination complexes with a variety of metal ions, including ⁶⁸Ga, ¹¹¹In, and ¹⁷⁷Lu. It can be conjugated with targeting molecules such as RGD peptide or folic acid to enable the complex to target specific biomolecules or cells. Its primary target is metal ions for chelation in imaging and therapeutic applications.
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| ln Vitro |
Tetraxetan is used in vitro as a chelating agent for radiolabeling and metal ion coordination. It is used for radiolabeling of carbon nanotube bioconjugates by chelating ⁶⁴Cu radioisotope. It can be used for imaging studies of tumors, including melanoma and folate receptor-positive tumors (e.g., cervical cancer).
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| ln Vivo |
In vivo, Tetraxetan is used as a chelator for targeted imaging and therapeutic radiopharmaceuticals. It can be conjugated with targeting molecules to deliver metal ions (e.g., ⁶⁸Ga, ¹⁷⁷Lu) to specific tissues or cells for diagnostic imaging or radiotherapy. It has been used for imaging studies of tumors.
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| Enzyme Assay |
For in vitro metal chelation studies, Tetraxetan is used to form stable complexes with metal ions. Standard protocols involve incubating the chelator with a metal salt (e.g., GaCl₃, LuCl₃) in an appropriate buffer at controlled pH and temperature. The formation of the metal complex is verified by radio-TLC or HPLC. The chelator can also be conjugated to targeting molecules for specific binding assays.
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| Cell Assay |
For in vitro cell-based experiments, Tetraxetan is not typically used directly in cell culture as a test compound. It is a chelating agent used for radiolabeling or preparing metal complexes that are subsequently tested in cell-based assays. The metal complexes or conjugates are added to cells to study targeting, uptake, or cytotoxicity.
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| Animal Protocol |
In vivo animal studies using Tetraxetan are conducted to evaluate the biodistribution, imaging, or therapeutic efficacy of its metal complexes or conjugates. Standard protocols involve administering the radiolabeled Tetraxetan conjugate (e.g., ⁶⁸Ga-DOTA-TATE) to tumor-bearing mice via intravenous injection. Imaging (PET/SPECT) or biodistribution studies are performed at various time points.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Tetraxetan depend on the metal ion and targeting molecule conjugated to it. As a chelator, it is not administered alone. The metal complexes and conjugates are typically administered intravenously and cleared renally. The pharmacokinetics are influenced by the targeting moiety and the metal ion's properties.
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| Toxicity/Toxicokinetics |
Tetraxetan is a research chemical and should be handled with appropriate laboratory safety precautions. As a chelating agent, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications outside of clinical trials.
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| References | |
| Additional Infomation |
DOTA is a nitrogen-containing macrocyclic compound in which four nitrogen atoms at positions 1, 4, 7, and 10 of its twelve-membered ring are replaced by carboxymethyl groups. It can be used as a chelating agent and a copper chelating agent. DOTA is derived from the hydride of 1,4,7,10-tetraazacyclododecane.
Tetraxetan (DOTA, CAS 60239-18-1) is primarily a research-grade chelating agent and biochemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are as a macrocyclic chelator for radiolabeling and metal ion coordination in diagnostic imaging (PET/SPECT) and targeted radiotherapy (theranostics) for cancer research. |
| Molecular Formula |
C16H28N4O8
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|---|---|
| Molecular Weight |
404.42
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| Exact Mass |
404.19
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| CAS # |
60239-18-1
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| PubChem CID |
121841
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
701.6±60.0 °C at 760 mmHg
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| Melting Point |
267ºC
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| Flash Point |
378.1±32.9 °C
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| Vapour Pressure |
0.0±4.8 mmHg at 25°C
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| Index of Refraction |
1.532
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| LogP |
-1.31
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| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
28
|
| Complexity |
447
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C1([H])[H])=O
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| InChi Key |
WDLRUFUQRNWCPK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
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| Chemical Name |
2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
H2O: 100 mg/mL (247.27 mM)
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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 | 2.4727 mL | 12.3634 mL | 24.7268 mL | |
| 5 mM | 0.4945 mL | 2.4727 mL | 4.9454 mL | |
| 10 mM | 0.2473 mL | 1.2363 mL | 2.4727 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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