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CUAT

Cat No.:V64339 Purity: ≥98%
CuATSP is a potent inhibitor of ferroptosis, almost 20 times more potent than CuATSM.
CUAT
CUAT Chemical Structure CAS No.: 68341-12-8
Product category: Others 12
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
100mg
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Product Description
CuATSP is a potent inhibitor of ferroptosis, almost 20 times more potent than CuATSM.
CUAT is the acronym for "Copper(II) bis(L-aspartate) tetramer", referring to a specific polymeric or multinuclear coordination complex of copper(II) with the amino acid L-aspartate. It is a copper complex with a distinct and well-defined tetranuclear structure. These complexes are of interest as models for copper coordination chemistry and in the study of potential pharmacological activities of copper-amino acid complexes.
Biological Activity I Assay Protocols (From Reference)
Targets
There is no classical biological target for CUAT as a drug. It is a chemical compound studied for its structural properties. Copper-amino acid complexes have been explored for pharmacological activities, including anti-rheumatic, anti-inflammatory, and anti-diabetic effects, due to the role of copper as an essential trace element. CUAT can be studied as a model for the interaction of copper complexes with proteins, DNA, or cellular transporters.
ln Vitro
As a synthetic coordination complex, its primary "activity" is in its defined solid-state structure and solution behavior. The in vitro activity can be studied by analyzing how the copper center interacts with small molecules or proteins. The crystal structure revealed that the tetramer has a square-like arrangement of copper ions with dimensions of ~5.2 Angstrom x 5.2 Angstrom. The ligands can adopt different coordination modes, forming 5- and 6-membered chelate rings with the metal.
ln Vivo
There are no known in vivo activities for CUAT itself. This is a fundamental inorganic chemistry research compound used to study metal coordination and crystallization. As part of a broader class of copper-amino acid complexes, CUAT might share some bioactivity such as the potential for anti-inflammatory activity, but this specific compound has not been characterized for any in vivo effects.
Enzyme Assay
The primary in vitro analysis for CUAT is single-crystal X-ray diffraction. This technique is used to determine its complex, solid-state structure. Crystals of the compound are mounted on a diffractometer, and the pattern of X-rays scattering from the crystal is used to solve the three-dimensional arrangement of atoms, revealing the coordination geometry of the copper(II) ions and the bridging modes of the aspartate ligands.
Cell Assay
This compound is a solid used for structural analysis and is not employed in standard cell-based assays. Researchers would typically use it as a reference or a starting material for studies on copper-amino acid coordination chemistry. If a cell-based study were to be performed, it would be dissolved in a suitable solvent (like DMSO or water) and added to cell culture to assess its uptake, potential cytotoxicity, or its ability to deliver copper ions intracellularly.
Animal Protocol
No animal experiments have been conducted with CUAT. Its synthesis, crystal structure analysis, and characterization are purely ex vivo chemical studies. Studies investigating the in vivo effects of copper aspartate complexes (as potential nutritional supplements or therapeutic agents) have been performed with other simpler complexes, but not with this specific tetranuclear CUAT species.
ADME/Pharmacokinetics
Not applicable. As an inorganic complex, CUAT is not expected to have the pharmacokinetic properties of an organic drug. If it were to dissociate in solution, it would release copper ions and aspartate. The bioavailability would be dependent on the stability of the coordination complex in the biological environment and the ability of the large polynuclear species to be absorbed.
Toxicity/Toxicokinetics
As a copper coordination compound, potential toxicity is related to the concentration of copper ions released. Copper is an essential metal, but at high concentrations it is cytotoxic due to the generation of reactive oxygen species (ROS). The unique tetrameric structure may alter the redox activity of the copper centers and its interaction with biomolecules compared to simple copper salts. Comprehensive toxicity studies have not been performed for this specific complex.
References
[1]. Zilka O, et al. Radical-Trapping Antioxidant Activity of Copper and Nickel Bis(Thiosemicarbazone) Complexes Underlies Their Potency as Inhibitors of Ferroptotic Cell Death. J Am Chem Soc. 2021 Nov 17;143(45):19043-19057.
Additional Infomation
CUAT is a research chemical used in fundamental coordination chemistry. It has no known biological or pharmacological activity. The acronym is specifically used to describe the tetrameric structure reported in a thesis. It is not a drug, is not in clinical trials, and is not approved for any medical use. The CAS number 68341-12-8 is likely specific to the tetrameric copper(II) aspartate complex, which should not be confused with the simpler bis(L-aspartato)copper(II).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C18H21CUN6S2
Molecular Weight
449.08
CAS #
68341-12-8
Appearance
Brown to reddish brown solid powder
HS Tariff Code
2934.99.9001
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 Data
Solubility (In Vitro)
DMSO: 4.55 mg/mL (10.20 mM)
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.2268 mL 11.1339 mL 22.2677 mL
5 mM 0.4454 mL 2.2268 mL 4.4535 mL
10 mM 0.2227 mL 1.1134 mL 2.2268 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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