| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
This compound targets metal ions, such as gadolinium (Gd3+) for MRI contrast agents, or radiometals (e.g., 64Cu, 68Ga, 177Lu) for nuclear medicine imaging and therapy. The DOTA moiety chelates these metal ions with high affinity and stability, enabling their use in medical imaging and targeted radiotherapy.
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|---|---|
| ln Vitro |
In vitro, the compound itself does not have biological activity. Its activity is related to the metal complexes formed. Gd-DOTA complexes are used as MRI contrast agents to enhance image contrast. Radiometal-DOTA complexes are used in cell binding assays to study receptor targeting.
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| ln Vivo |
In vivo, DOTA-based compounds are used as imaging agents and therapeutic radiopharmaceuticals. Gd-DOTA is used as an MRI contrast agent. Radiometal-labeled DOTA conjugates targeting specific receptors (e.g., somatostatin receptors) are used for PET imaging and radionuclide therapy of tumors.
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| Enzyme Assay |
The chelation of metal ions by DOTA derivatives is studied using standard coordination chemistry techniques. The formation of the metal-DOTA complex is monitored by HPLC or mass spectrometry. Stability constants are determined by potentiometric titration or competition with other chelators.
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| Cell Assay |
Cell-based assays are used to evaluate the targeting of DOTA-conjugated peptides or antibodies. Cells expressing the target receptor are incubated with the radiolabeled or fluorescently labeled DOTA conjugate. Binding is assessed by measuring radioactivity or fluorescence. Internalization is studied by confocal microscopy.
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| Animal Protocol |
Animal studies involve the administration of DOTA-based imaging agents or radiopharmaceuticals to mice or other animals. Biodistribution is studied by gamma counting or PET imaging. Tumor targeting is assessed in xenograft models. Pharmacokinetics and clearance are evaluated by blood sampling and urine collection.
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| ADME/Pharmacokinetics |
2-Aminoethyl-mono-amide-DOTA-tris(tBu ester) (MW ~741) is a lipophilic protected precursor. After deprotection and metal chelation, the resulting complexes are hydrophilic and cleared renally. The pharmacokinetics depend on the metal ion and the targeting moiety.
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| Toxicity/Toxicokinetics |
The toxicity of DOTA-based compounds depends on the metal ion. Gd-based agents can cause nephrogenic systemic fibrosis (NSF) in patients with renal impairment. Radiometal-based agents have radiation-related toxicity. The precursor itself has low toxicity but is a chemical intermediate.
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| Additional Infomation |
2-Aminoethyl-mono-amide-DOTA-tris(tBu ester) is a research chemical used as a precursor for the synthesis of DOTA-based imaging and therapeutic agents. It is not an approved drug. It is used in the development of new contrast agents and radiopharmaceuticals.
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| Molecular Formula |
C30H58N6O7
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|---|---|
| Molecular Weight |
614.817528247833
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| Exact Mass |
614.437
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| CAS # |
173308-19-5
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| PubChem CID |
22660448
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| Appearance |
White to off-white solid powder
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| LogP |
1.15
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
43
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| Complexity |
849
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(C)(C)C)C(CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(NCCN)=O)CCN(CC(=O)OC(C)(C)C)CC1)=O
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| InChi Key |
TVUPYCMMXREXSS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H58N6O7/c1-28(2,3)41-25(38)21-34-14-12-33(20-24(37)32-11-10-31)13-15-35(22-26(39)42-29(4,5)6)17-19-36(18-16-34)23-27(40)43-30(7,8)9/h10-23,31H2,1-9H3,(H,32,37)
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| Chemical Name |
tert-butyl 2-[4-[2-(2-aminoethylamino)-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
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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) |
DMSO : ~100 mg/mL (~162.65 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.07 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.07 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6265 mL | 8.1325 mL | 16.2649 mL | |
| 5 mM | 0.3253 mL | 1.6265 mL | 3.2530 mL | |
| 10 mM | 0.1626 mL | 0.8132 mL | 1.6265 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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