| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
HBED-CC-tris(tert-butyl ester) TFA targets trivalent radiometals, particularly gallium-68 (68Ga), forming stable complexes through its hexadentate chelating properties. The compound's primary application is in the preparation of 68Ga-labeled radiopharmaceuticals for positron emission tomography (PET) imaging. The Glu-urea-Lys(Ahx) moiety in HBED-CC conjugates targets and binds to prostate-specific membrane antigen (PSMA)-expressing tumor cells for diagnostic imaging of prostate cancer.
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| ln Vitro |
In vitro, HBED-CC-tris(tert-butyl ester) TFA is used as a precursor for the synthesis of HBED-CC-based chelators and their conjugates. The compound's ability to tightly chelate trivalent radiometals at ambient temperature has been demonstrated in vitro. Radiolabeling efficiency and complex stability are typically assessed in vitro using radiolabeling assays and serum stability studies. The compound is not typically evaluated for direct biological activity in vitro as it is a synthetic intermediate.
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| ln Vivo |
In vivo, HBED-CC-based radiopharmaceuticals are used for diagnostic imaging. Following intravenous administration of gallium Ga 68 gozetotide (a PSMA-targeting agent using HBED-CC as the chelator), the compound targets and binds to PSMA-expressing tumor cells. Upon internalization, PSMA-expressing tumor cells can be detected during PET imaging. The HBED-CC chelator ensures stable complexation of the radiometal in vivo, preventing transchelation and ensuring image quality.
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| Enzyme Assay |
In vitro radiolabeling assays for HBED-CC-tris(tert-butyl ester) TFA involve deprotection of the tert-butyl ester groups to yield the active chelator HBED-CC. Radiolabeling with 68Ga is performed at ambient temperature or under mild heating conditions. Labeling efficiency is determined by radio-thin layer chromatography (radio-TLC) or radio-high performance liquid chromatography (radio-HPLC). Serum stability assays assess the integrity of the 68Ga-HBED-CC complex over time in human serum at 37°C.
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| Cell Assay |
In vitro cellular assays for HBED-CC-based radiopharmaceuticals typically involve cell binding and uptake studies using PSMA-expressing cell lines (e.g., LNCaP, 22Rv1). Cells are incubated with radiolabeled HBED-CC conjugates, and cell-associated radioactivity is measured using a gamma counter. Competitive binding assays using unlabeled compounds determine binding specificity. Internalization assays differentiate between cell surface-bound and internalized radioactivity. These assays are performed at 37°C and 4°C to assess active versus passive uptake.
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| Animal Protocol |
In vivo animal studies for HBED-CC-based radiopharmaceuticals involve administration to tumor-bearing mouse models (typically xenografts of PSMA-expressing human prostate cancer cells). Radiolabeled compounds are injected intravenously, and biodistribution is assessed by ex vivo gamma counting of harvested tissues and organs. Micro-PET imaging is performed to visualize tumor targeting and biodistribution in vivo. Blocking studies with excess unlabeled compound confirm target specificity.
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| ADME/Pharmacokinetics |
Pharmacokinetic studies for HBED-CC-based radiopharmaceuticals are typically conducted in animal models. Following intravenous injection, the compound distributes rapidly to target tissues (PSMA-expressing tumors) and is cleared from the circulation via renal excretion. The HBED-CC chelator ensures stable radiometal complexation in vivo, preventing dissociation and off-target accumulation. Biodistribution data show preferential uptake in PSMA-expressing tissues with rapid clearance from non-target organs. Detailed PK parameters are compound-specific.
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| Toxicity/Toxicokinetics |
Toxicological data for HBED-CC-tris(tert-butyl ester) TFA are primarily derived from studies of its deprotected form and radiolabeled conjugates. The compound is intended for research use only and not for human therapeutic or diagnostic use. As a chelating agent, it may bind endogenous metal ions and potentially affect metal homeostasis. However, at the low doses used for radiolabeling, toxicity is minimal. Standard toxicological assessments include acute toxicity studies in rodents for HBED-CC-based radiopharmaceuticals.
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| References | |
| Additional Infomation |
HBED-CC-tris(tert-butyl ester) TFA is a research chemical used in radiopharmaceutical development. Its unique hexadentate binding capabilities make it particularly valuable for prostate cancer imaging applications. The compound is used to synthesize HBED-CC-based radiopharmaceuticals for PET imaging of PSMA-expressing tumors. It is also used in agricultural research. HBED-CC allows efficient 68Ga labeling at ambient temperature, a significant advantage over other chelators that require heating. The compound is not approved for clinical use.
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| Molecular Formula |
C40H57F3N2O12
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|---|---|
| Molecular Weight |
814.88
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| Appearance |
Solid powder
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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) |
Typically soluble in DMSO (e.g. 10 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 | 1.2272 mL | 6.1359 mL | 12.2717 mL | |
| 5 mM | 0.2454 mL | 1.2272 mL | 2.4543 mL | |
| 10 mM | 0.1227 mL | 0.6136 mL | 1.2272 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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