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| Other Sizes |
| Targets |
Calcium trinatrium DTPA hydrate targets heavy metal ions and CMV (cytomegalovirus). As a metal chelator, the compound binds to divalent and trivalent metal ions with high affinity, forming stable water-soluble complexes that can be excreted from the body. The mechanism of action involves the exchange of calcium in the DTPA complex for metal ions with higher binding affinity, such as plutonium, americium, curium, gadolinium, and cadmium. For its antiviral activity, Ca-DTPA inhibits CMV L-antigen production with an EC50 ranging from 6.1 to 9.9 μM, making it a non-toxic CMV replication inhibitor. The compound may interfere with viral replication by chelating metal ions required for viral enzyme function or by directly interacting with viral proteins.
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| ln Vitro |
Metal ions with a decreasing potency order of Mn2+/Zn2+>Fe2+>Cu2+>Fe3+ inhibit the antiviral activity of Calcium trinatrium diethylenetriaminepentaacetic acid hydrate. The synthesis of CMV L-antigen is inhibited by diethylenetriaminepentaacetic acid calcium trisodium salt hydrate, with an EC50 ranging from 6.1 to 9.9 μM [2].
In vitro, calcium trinatrium DTPA hydrate demonstrates antiviral activity against cytomegalovirus (CMV). The compound inhibits CMV L-antigen production with EC50 values ranging from 6.1 to 9.9 μM, indicating potent antiviral activity. The compound also shows activity as a metal chelator, effectively binding to various metal ions including plutonium, americium, curium, and gadolinium. In cell-based assays, Ca-DTPA has been shown to inhibit CMV replication without significant cytotoxicity, suggesting a favorable selectivity index. The compound's in vitro activities support its use as both a chelation therapy agent and an antiviral research tool. The chelating properties of Ca-DTPA make it useful for studying the role of metal ions in biological systems. |
| ln Vivo |
In vivo, calcium trinatrium DTPA hydrate is used as a chelation therapy agent for the treatment of heavy metal poisoning and radioactive contamination. The compound is administered intravenously or by inhalation to promote the excretion of toxic metals and radioactive isotopes from the body. In animal studies, Ca-DTPA has been shown to effectively reduce the body burden of radioactive materials and heavy metals, protecting against their toxic effects. The compound's efficacy as a chelator depends on the timing of administration relative to exposure and the specific metal ion being targeted. Ca-DTPA is also used in research to study metal ion metabolism and the effects of metal chelation on various biological processes. Its antiviral activity in vivo has not been extensively characterized.
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| Enzyme Assay |
In vitro binding assays for calcium trinatrium DTPA hydrate involve measuring its metal chelation properties. The assay typically uses a metal ion (e.g., Cd²⁺, Pu⁴⁺, or a fluorescent metal probe) and varying concentrations of Ca-DTPA. The formation of the metal-DTPA complex is monitored by UV-Vis spectroscopy, fluorescence quenching, or by measuring the free metal ion concentration using ion-selective electrodes or inductively coupled plasma mass spectrometry (ICP-MS). The stability constant (log K) for the metal-DTPA complex is determined. Competition assays with other chelators (e.g., EDTA) can be performed to compare binding affinities. For antiviral activity, enzyme assays measuring CMV L-antigen production are performed.
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| Cell Assay |
In vitro cell-based assays for calcium trinatrium DTPA hydrate are performed using CMV-susceptible cell lines (e.g., human foreskin fibroblasts, MRC-5 cells). Cells are infected with CMV and treated with serial dilutions of Ca-DTPA (typically 1-100 μM). Viral replication is assessed by measuring CMV L-antigen production using immunofluorescence or ELISA, or by quantifying viral DNA by qPCR. The EC50 is determined from concentration-response curves. Cytotoxicity is assessed using MTT or LDH release assays to determine the CC50 and selectivity index (SI = CC50/EC50). The compound's effects on cell viability and morphology are monitored. For chelation studies, cells are treated with metal ions in the presence or absence of Ca-DTPA to assess the compound's ability to protect against metal-induced toxicity.
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| Animal Protocol |
In vivo animal studies with calcium trinatrium DTPA hydrate are conducted in rodent models of heavy metal poisoning or radioactive contamination. Animals are exposed to toxic metals (e.g., cadmium, plutonium) and then treated with Ca-DTPA via intravenous or intraperitoneal injection. The compound's ability to promote the excretion of the metal or radioactive isotope is assessed by measuring metal levels in urine, feces, and tissues using ICP-MS or radiometric methods. Tissue distribution of the metal is analyzed to determine the efficacy of chelation. Survival and clinical signs are monitored. Histopathological analysis is performed to assess organ damage. The compound's efficacy is compared to vehicle controls and other chelators (e.g., EDTA, DMSA).
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| ADME/Pharmacokinetics |
Calcium trinatrium DTPA hydrate has well-characterized pharmacokinetic properties. Following intravenous administration, the compound is rapidly distributed to the extracellular space, where it binds to metal ions. Ca-DTPA does not penetrate cells well, limiting its ability to chelate intracellular metals. The compound is primarily excreted unchanged in the urine, with a half-life of approximately 1-2 hours in humans. The pharmacokinetics of Ca-DTPA are dose-dependent, and the compound is cleared rapidly from the circulation. For oral administration, the compound has poor bioavailability due to its hydrophilic nature and is not absorbed from the gastrointestinal tract. Therefore, intravenous or inhalation routes are used for therapeutic applications. The compound's pharmacokinetics are affected by renal function, and dosage adjustment may be needed in patients with renal impairment.
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| Toxicity/Toxicokinetics |
Calcium trinatrium DTPA hydrate is generally considered safe and well-tolerated at therapeutic doses. The compound has low acute toxicity and is non-toxic at concentrations that are effective for metal chelation. Common side effects include gastrointestinal disturbances (nausea, vomiting, diarrhea) and, with high doses, depletion of essential metals such as zinc and manganese. Prolonged use may lead to trace element deficiencies. The compound is contraindicated in patients with known hypersensitivity to DTPA or its components. As a research chemical, standard safety precautions should be followed when handling Ca-DTPA. The compound is for research use only and not for human therapeutic applications outside approved clinical use.
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| References | |
| Additional Infomation |
Calcium trinatrium DTPA hydrate is a chelating agent used for the treatment of heavy metal poisoning and radioactive contamination. The compound is approved by regulatory agencies for the treatment of internal contamination with plutonium, americium, and curium, and is also used off-label for other metal intoxications. Ca-DTPA is on the WHO Model List of Essential Medicines. The compound's mechanism of action involves the formation of stable, water-soluble complexes with metal ions, which are then excreted by the kidneys. The calcium in the complex is exchanged for the metal ion, allowing for the chelation of metals with higher affinity. In addition to its chelation properties, Ca-DTPA has been studied for its antiviral activity against CMV, although this application is not approved for clinical use. The compound is available from chemical suppliers for research purposes.
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| Molecular Formula |
C14H20CAN3NA3O11
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|---|---|
| Molecular Weight |
515.37
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| Exact Mass |
515.042
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| CAS # |
207226-35-5
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| PubChem CID |
17749130
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
32
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| Complexity |
454
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
AWBWYUNJDQLQGT-UHFFFAOYSA-I
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| InChi Code |
InChI=1S/C14H23N3O10.Ca.3Na.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;1H2/q;+2;3*+1;/p-5
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| Chemical Name |
calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;hydrate
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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 | 1.9404 mL | 9.7018 mL | 19.4035 mL | |
| 5 mM | 0.3881 mL | 1.9404 mL | 3.8807 mL | |
| 10 mM | 0.1940 mL | 0.9702 mL | 1.9404 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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