| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| 1g | |||
| Other Sizes |
| Targets |
Not applicable. Nitrilotriacetic acid-d9 is not a pharmacologically active drug; it is an analytical standard. The unlabeled compound (nitrilotriacetic acid) is a chelating agent that targets metal ions, forming coordination complexes by binding to divalent and trivalent metal cations such as Ca2+, Mg2+, Fe3+, Cu2+, and Zn2+. It functions as a hexadentate ligand, using its three carboxylate groups and the tertiary amine nitrogen atom to coordinate metals.
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro, the unlabeled nitrilotriacetic acid (NTA) demonstrates potent metal-chelating activity. It is widely used in biochemical research to immobilize histidine-tagged proteins via Ni2+-NTA complexes (immobilized metal affinity chromatography, IMAC). NTA also finds applications in water softening, detergent formulations, and as a heavy metal chelator. The d9-labeled version has no biological activity and is used solely as an analytical standard. |
| ln Vivo |
Not applicable (no in vivo biological activity). Nitrilotriacetic acid-d9 is not intended for in vivo pharmacological studies. The unlabeled compound (NTA) has been studied for its environmental persistence and potential toxicity due to its metal-chelating properties, which can mobilize heavy metals. However, the d9-labeled version is exclusively an analytical internal standard used for quantitation in environmental and biological matrices, not a therapeutic agent.
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| Enzyme Assay |
Not applicable. As an analytical standard, Nitrilotriacetic acid-d9 is used in LC-MS/MS methods for the quantification of NTA in environmental and biological samples. A typical non-cellular workflow involves: preparing the d9-labeled compound as an internal standard; adding it to water, soil, or biological fluid samples; performing solid-phase extraction (SPE) to isolate NTA; derivatization (if required); separation by hydrophilic interaction chromatography (HILIC) or reversed-phase HPLC; and detection by mass spectrometry using selected reaction monitoring (SRM).
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| Cell Assay |
Not applicable. Nitrilotriacetic acid-d9 is not used in standard cell-based assays for pharmacological purposes. While the unlabeled NTA is used in cell culture to prepare metal-chelate resins for protein purification, the d9-labeled version is an analytical standard. It may be used in cell lysate or culture medium as a spiked internal standard for quantitation, but not as a treatment to study cellular responses.
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| Animal Protocol |
Not applicable. Nitrilotriacetic acid-d9 is not used in animal experiments as a therapeutic agent. It is exclusively an analytical standard for in vitro measurement. In environmental studies, the unlabeled NTA has been administered to animals to study its toxicokinetics and chelation effects, but the d9-labeled version serves only as an internal standard for quantifying NTA levels in such studies when analyzing tissue or fluid samples by mass spectrometry.
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| ADME/Pharmacokinetics |
Not applicable. Nitrilotriacetic acid-d9 is not a drug candidate; therefore, no pharmacokinetic parameters are reported. The compound is supplied as a solid powder with a melting point of 245degC (lit.). It is stable for up to 3 years when stored at -20degC and for up to 2 years at 4degC. It is stable at ambient temperature for several days during ordinary shipping. For in vivo formulation, it can be dissolved in DMSO and further diluted in PEG300, Tween 80, and saline.
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| Toxicity/Toxicokinetics |
Not applicable. Toxicity studies are not performed for analytical reference standards like Nitrilotriacetic acid-d9 as they are not intended for human consumption. However, the unlabeled compound (NTA) is known to be a potential carcinogen and can cause irritation to skin, eyes, and respiratory tract. It has been classified as a possible human carcinogen. Therefore, the d9-labeled standard should be handled with caution using appropriate personal protective equipment in a well-ventilated laboratory.
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| References | |
| Additional Infomation |
Nitrilotriacetic acid-d9 is a stable isotope-labeled internal standard used for the quantitative analysis of NTA in environmental, biological, and industrial applications. The unlabeled NTA is widely used as a chelating agent in detergents, water treatment, and biochemical research (e.g., Ni-NTA affinity chromatography for His-tagged protein purification). The d9-labeled version is not a drug and has no approved therapeutic indications, but it is a valuable tool for environmental monitoring and toxicological studies.
|
| Molecular Formula |
C6D9NO6
|
|---|---|
| Molecular Weight |
200.19
|
| Exact Mass |
191.043
|
| CAS # |
807630-34-8
|
| Related CAS # |
Nitrilotriacetic acid;139-13-9
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| PubChem CID |
12305539
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
-3.2
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
13
|
| Complexity |
187
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(C(=O)O)N(CC(=O)O)CC(=O)O
|
| InChi Key |
MGFYIUFZLHCRTH-HCHPEDFLSA-N
|
| InChi Code |
InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)/i1D2,2D2,3D2/hD3
|
| Chemical Name |
deuterio 2-[bis(1,1-dideuterio-2-deuteriooxy-2-oxoethyl)amino]-2,2-dideuterioacetate
|
| 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)
|
| 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9953 mL | 24.9763 mL | 49.9525 mL | |
| 5 mM | 0.9991 mL | 4.9953 mL | 9.9905 mL | |
| 10 mM | 0.4995 mL | 2.4976 mL | 4.9953 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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