| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
DOTA-NHS-ester targets amine groups on proteins, peptides, and other biomolecules. The NHS ester reacts with primary amines (such as the ε-amino group of lysine residues) to form stable amide bonds. This conjugation links the DOTA chelator to the biomolecule of interest. Once conjugated, the DOTA moiety can chelate metal ions such as 68Ga, 111In, 177Lu, or 90Y for imaging (PET, SPECT) or radiotherapy applications. The compound is used to modify human serum albumin and other proteins for imaging and therapeutic applications.
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| ln Vitro |
DOTA-NHS-ester is capable of altering human serum albumin (HSA) to create DOTA-HSA. DOTA-HSA-SMCC was then created by further modifying DOTA-HSA with Sulfo-SMCC. The result of conjugating DOTA-HSA-SMCC with ZHER2:342 is DOTA-HSA-ZHER2:342[1]. 64Cu was added to DOTA-HSA-ZHER2:342 in the cellular uptake assay. 64Cu-DOTA-HSA-ZHER2:342 accumulated gradually in SKOV3 cells over the course of 0.5-2 hours, reaching 0.71% of the applied activity at 0.5 hours 2. At h, the rate of absorption rises to 1.58%[1].
In vitro, DOTA-NHS-ester is used to conjugate DOTA to various biomolecules. The conjugation reaction is carried out in aqueous buffer at pH 7-9. The efficiency of conjugation is assessed by mass spectrometry or SDS-PAGE. Once conjugated, the DOTA-labeled biomolecule is tested for its ability to bind its target (e.g., antigen, receptor) and for its metal chelation efficiency using radiolabeled metal ions. Radiolabeling efficiency and stability are assessed by radio-TLC or HPLC. These in vitro activities confirm the compound’s utility as a chelator-linker for imaging and therapy. |
| ln Vivo |
MicroPET pictures of mice with SKOV3 tumors were obtained after the mice's tail was injected with 64Cu-DOTA-HSA-ZHER2:342. Mice with SKOV3 tumors were imaged using microPET at 1, 4, 24, and 48 hours following tail vein injection. after one hour after injection (pi), SKOV3 tumors were evident with low tumor-to-background contrast; however, after four and twenty-four hours after injection, the tumor-to-background contrast was very good. SKOV3 tumor uptake values rose throughout time, according to quantitative analysis, reaching 5.63%, 9.98%, 14.34%, and 14.12% ID/g at 1, 4, 24, and 48 hours, respectively [1].
DOTA-NHS-ester is used in vivo to prepare radiolabeled probes for imaging and therapy. The DOTA-conjugated biomolecule (e.g., antibody, peptide) is radiolabeled with a suitable metal ion and administered to animal models. The biodistribution and tumor targeting of the radiolabeled probe are assessed by PET/SPECT imaging or by counting radioactivity in tissues. The in vivo stability of the DOTA-metal complex is critical for the success of these applications. DOTA-NHS-ester has been used in preclinical studies for tumor detection and targeted radiotherapy. |
| Enzyme Assay |
In vitro assays for DOTA-NHS-ester involve testing its reactivity with amine-containing molecules. The NHS ester is incubated with a model amine (e.g., benzylamine) or a protein, and the formation of the amide bond is monitored by HPLC or mass spectrometry. The efficiency of conjugation is calculated. Metal chelation assays involve incubating the DOTA-conjugated molecule with a radiolabeled metal ion and measuring the chelation efficiency by radio-TLC or HPLC. These assays confirm the compound’s functionality.
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| Cell Assay |
In vitro cellular assays with DOTA-NHS-ester are not typically performed directly, as the compound is a linker used to prepare probes. However, the DOTA-labeled probes prepared using this compound are tested in cell-based assays. For example, DOTA-labeled antibodies are tested for binding to cancer cells by flow cytometry or immunofluorescence. DOTA-labeled peptides are tested for receptor binding in cell lines expressing the target receptor. These assays confirm the targeting ability of the probes.
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| Animal Protocol |
In vivo animal experiments with DOTA-NHS-ester are conducted using DOTA-labeled probes prepared with this compound. Mouse xenograft models of cancer are used to evaluate the tumor targeting of the radiolabeled probes. The probe is administered intravenously, and PET/SPECT imaging is performed to visualize tumor accumulation. Biodistribution studies are performed by dissecting tissues and counting radioactivity. These studies are critical for the development of imaging and therapeutic agents.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for DOTA-NHS-ester are relevant in the context of DOTA-labeled probes prepared with this compound. The pharmacokinetics of the probe are determined by the properties of the biomolecule (e.g., antibody, peptide), the DOTA chelator, and the metal ion. The DOTA-NHS-ester itself is not administered as a drug but is used to prepare the probe. The probe’s half-life, distribution, and clearance are assessed in preclinical studies.
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| Toxicity/Toxicokinetics |
Toxicological data for DOTA-NHS-ester are evaluated in the context of DOTA-labeled probes prepared with this compound. The toxicity of the probe depends on the biomolecule, the metal ion, and the dose administered. DOTA itself is generally considered to have low toxicity, but the specific radionuclide used (e.g., 177Lu, 90Y) may have associated toxicity. Standard toxicology studies are conducted for each probe candidate.
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| References | |
| Additional Infomation |
DOTA-NHS-ester is a chelator-based linker used to conjugate DOTA to biomolecules for radiolabeling and imaging applications. It is also known as DOTA mono-NHS ester. The compound is used to label radiotherapeutic agents or imaging probes for the detection of tumors. It is applied in small animal PET, SPECT, and CT imaging. The NHS ester reacts with amine groups to form stable amide bonds. DOTA forms stable complexes with a variety of metal ions. The compound is available in high purity for research applications.
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| Molecular Formula |
C₂₀H₃₁N₅O₁₀
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|---|---|
| Molecular Weight |
501.49
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| Exact Mass |
501.207
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| CAS # |
170908-81-3
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| Related CAS # |
DOTA-tris(tBu)ester NHS ester;819869-77-7
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| PubChem CID |
11488945
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| Appearance |
White to off-white solid powder
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| LogP |
-8.9
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
35
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| Complexity |
774
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
XSVWFLQICKPQAA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H31N5O10/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33/h1-14H2,(H,28,29)(H,30,31)(H,32,33)
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| Chemical Name |
2-[4,10-bis(carboxymethyl)-7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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| Synonyms |
DOTANHSester DOTA NHS 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~50 mg/mL (~99.70 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.99 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 (4.99 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 (4.99 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 | 1.9941 mL | 9.9703 mL | 19.9406 mL | |
| 5 mM | 0.3988 mL | 1.9941 mL | 3.9881 mL | |
| 10 mM | 0.1994 mL | 0.9970 mL | 1.9941 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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