| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
trans-1,2-Cyclohexanediaminetetraacetic acid does not have a defined pharmacological target as it is a chelating agent and biochemical reagent. The compound chelates heavy metal ions by forming stable complexes, thereby altering their properties. Its primary applications are in biochemical research as a chelator for metal ions in various assays and studies.
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|---|---|
| ln Vitro |
No specific in vitro pharmacological activity data are available for trans-1,2-Cyclohexanediaminetetraacetic acid as a drug candidate. In research settings, the compound is used as a chelating agent in biochemical assays. Its activity is assessed in terms of metal ion binding affinity and chelation efficiency rather than direct biological activity.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for trans-1,2-Cyclohexanediaminetetraacetic acid as a therapeutic agent. The compound is used exclusively as a research reagent and chelating agent. It is not administered to animals for pharmacological evaluation. Its applications are limited to biochemical research and laboratory settings.
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| Enzyme Assay |
For non-cellular assays, trans-1,2-Cyclohexanediaminetetraacetic acid is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated for its metal chelation capacity using various analytical methods. Typical protocols involve titrating the compound with metal ion solutions and measuring complex formation. Purity is typically ≥95%.
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| Cell Assay |
For in vitro cell-based studies, trans-1,2-Cyclohexanediaminetetraacetic acid is not typically used as a direct test compound. The compound is used as a chelating agent in cell culture media and buffers to control metal ion concentrations. If handled in a biological laboratory context, standard safety precautions should be taken. The compound is a solid at room temperature.
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| Animal Protocol |
For in vivo animal studies, trans-1,2-Cyclohexanediaminetetraacetic acid is not typically administered as a test compound. The compound is used as a research reagent and chelating agent. If used in animal studies for specific research purposes, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed for all in vivo studies.
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| ADME/Pharmacokinetics |
trans-1,2-Cyclohexanediaminetetraacetic acid has a molecular weight of 346.33 and molecular formula C14H22N2O8. It has a density of 1.5±0.1 g/cm³, boiling point of 670.8±55.0 °C, melting point of 213-216 °C, and LogP of 0.07. Storage: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month.
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| Toxicity/Toxicokinetics |
trans-1,2-Cyclohexanediaminetetraacetic acid is for research use only and not for human therapeutic use. Standard laboratory safety practices should be followed when handling this chemical. Specific LD50 values and detailed toxicological profiles have not been extensively reported. Appropriate personal protective equipment including gloves and safety glasses should be worn when handling the compound.
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| References |
[1]. Wen Chen, et al. Uranium(VI) complexation withtrans-1,2-cyclohexanediaminetetraacetic acid in solution: thermodynamic and structural studies,Journal of Coordination Chemistry.
[2]. Zhang T, et al. Chelant extraction of heavy metals from contaminated soils using new selective EDTA derivatives. J Hazard Mater. 2013;262:464-471. |
| Additional Infomation |
trans-1,2-Cyclohexanediaminetetraacetic acid (CAS 13291-61-7) is also known as CDTA and trans-1,2-cyclohexanediamine-N,N,N',N'-tetraacetic acid. It is a widely used aminopolycarboxylic acid and a strong heavy metal ion chelator. Applications include uranium complexation studies and heavy metal extraction from contaminated soils. No clinical trials or regulatory approvals for human use exist.
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| Molecular Formula |
C14H22N2O8
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|---|---|
| Molecular Weight |
346.33
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| Exact Mass |
346.137
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| CAS # |
13291-61-7
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| PubChem CID |
2723845
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
670.8±55.0 °C at 760 mmHg
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| Melting Point |
213-216 °C(lit.)
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| Flash Point |
359.5±31.5 °C
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| Vapour Pressure |
0.0±4.4 mmHg at 25°C
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| Index of Refraction |
1.596
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| LogP |
0.07
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
24
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| Complexity |
419
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O([H])C(C([H])([H])N(C([H])([H])C(=O)O[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H])=O
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| InChi Key |
FCKYPQBAHLOOJQ-NXEZZACHSA-N
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| InChi Code |
InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1
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| Chemical Name |
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
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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) |
H2O: 5 mg/mL (14.44 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (4.82 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 16.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8874 mL | 14.4371 mL | 28.8742 mL | |
| 5 mM | 0.5775 mL | 2.8874 mL | 5.7748 mL | |
| 10 mM | 0.2887 mL | 1.4437 mL | 2.8874 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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