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Calcium levulinate

Cat No.:V83353 Purity: ≥98%
Calcium levulinate
Calcium levulinate Chemical Structure CAS No.: 5743-49-7
Product category: Others 13
This product is for research use only, not for human use. We do not sell to patients.
Size Price
500mg
1g
Other Sizes
Official Supplier of:
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Biological Activity I Assay Protocols (From Reference)
ADME/Pharmacokinetics
Absorption, Distribution and Excretion
Calcium absorption primarily occurs in the duodenum via an active transcellular saturation absorption system stimulated and regulated by 1,25(OH)₂D. Additionally, calcium absorption also occurs in the jejunum and ileum, and even the colon, via a passive, vitamin D-independent cellular bypass pathway—although colonic absorption is only about 4% even at high intake levels. Ultimately, calcium absorption is largely dependent on intake—generally, lower intake leads to higher absorption, and higher intake to lower absorption. While calcium levoprene is considered a low-molecular-weight organic calcium ion that is readily absorbed through the intestinal wall, readily available data on its specific absorption are currently unavailable. Calcium is primarily excreted in urine and feces, but is also present in other bodily fluids and tissues, such as sweat. Overall, healthy adult men and women lose approximately 5 mmol/day of calcium through renal excretion, while endogenous fecal calcium loss is approximately 2.1 mg/kg/day in adults and approximately 1.4 mg/kg/day in children. 99% of the body's calcium is stored in bones and teeth, supporting their structure and function. The remaining 1% or less of calcium is used to maintain important metabolic functions, such as vasoconstriction and vasodilation, muscle function, nerve conduction, intracellular signal transduction, and hormone secretion. Although there are individual differences, general clinical laboratory tests will list some reference values for calcium clearance, such as urinary calcium of approximately <250 mg/24 h, which are considered to be within the "normal range".
Metabolism / Metabolites
Although calcium levonate dissociates into absorbable calcium ions after entering the body, studies have shown that levonate is metabolized into 4-hydroxyvalerate—a compound whose pharmacological effects are similar to those of the "date rape drug" gamma-hydroxybutyric acid, but with lower potency.
Biological Half-Life
Currently, there is no readily available data on the half-life of calcium levulinate.
Toxicity/Toxicokinetics
Protein Binding
Currently, there is no readily available data on the binding of levulinic calcium, although many different calcium-binding proteins exist, with varying distributions in cells and tissues and participating in specific biological functions. These proteins include calmodulin, calcium-binding proteins, calreticulin, and calmophosphatase.
Additional Infomation
Calcium levulinate is prepared by the direct reaction of L-levulinic acid (or levulinic acid) with calcium hydroxide. When used as a calcium supplement, the resulting calcium levulinate preparation has a high calcium content, exceeding that of typical calcium lactate by 14.8%. This preparation is considered a low-molecular-weight organic calcium ion, readily absorbed by the intestinal wall. This novel calcium preparation is intended as a food fortifier, supplementing calcium in sauces, condiments, beer, beverages, soft drinks, milk and dairy products, soy milk and soy products, and other foods. Calcium levulinate can be used alone or in combination with calcium lactate, calcium chloride, and other compounds to prepare pharmaceutical formulations such as tablets, capsules, or injections.
See also: Ferrous sulfate (related); Calcium ions (containing the active portion).
Drug Indication
This novel calcium supplement is intended for use as a food fortifier, enhancing the calcium content of foods such as sauces, condiments, beer, beverages, soft drinks, milk and dairy products, soy milk and soy products. Calcium levulinate can be used alone or in combination with calcium lactate, calcium chloride, and other compounds in the preparation of pharmaceuticals such as tablets, capsules, or injections. Overall, calcium levulinate is a relatively new calcium supplement option.
Mechanism of Action
Similar to most calcium supplements, calcium levulinate dissociates in the body after ingestion, and the supplemented calcium ions are absorbed through the intestinal wall, thereby increasing the body's calcium stores. Lecithinic acid (LA) is a commonly used chemical substance with an internal structure containing a carbonyl group, a carboxyl group, and an α-hydrogen atom, belonging to the short-chain non-volatile fatty acid family. Furthermore, the carbon-oxygen double bond in the LA carbonyl group is highly polar; the oxygen atom has a stronger electron-withdrawing ability than the carbon atom, so π electrons eventually transfer to the more electronegative oxygen atom, forming a positive charge center on the carbon atom. This electrophilic center of the carbon atom plays a crucial role in the chemical reactions of the carbonyl group. Due to the strong electron acceptor effect of the carbonyl oxygen atom, LA has a higher dissociation constant than common saturated acids, thus exhibiting stronger acidity. In addition, due to the presence of the carbonyl group, LA can isomerize to its enol isomer. The chemical structure of LA therefore possesses multiple highly active sites, making it a suitable chemical platform for the preparation of a variety of other chemical products. For example, the unique structure of LA enables it to generate a variety of products through a variety of methods such as esterification, halogenation, hydrogenation, oxidative dehydrogenation and/or condensation.
Pharmacodynamics
Calcium levulinate is prepared by the direct reaction of L-levulinic acid (or levulinic acid) with calcium hydroxide. When used as a calcium supplement, the resulting calcium levulinate preparation has a high calcium content, exceeding that of typical calcium lactate by 14.8%. Furthermore, this preparation exhibits a solubility exceeding 30% at 25°C. Calcium levulinate is considered non-toxic and non-allergenic, making it particularly suitable for injection or infusion. It has been reported to have a pleasant taste, low irritation (pH 7), and good stability, without precipitation or deterioration during use. Finally, this calcium levulinate preparation demonstrates good compatibility with calcium lactate, calcium chloride, and other compounds, enabling it to effectively form complexes with a variety of food and pharmaceutical preparations.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H18CAO8
Molecular Weight
306.3231
Exact Mass
270.041
CAS #
5743-49-7
PubChem CID
68651
Appearance
Typically exists as solid at room temperature
Boiling Point
242.9ºC at 760 mmHg
Melting Point
121.0 to 125.0 °C
Flash Point
115ºC
LogP
0.726
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
4
Heavy Atom Count
19
Complexity
101
Defined Atom Stereocenter Count
0
SMILES
CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].O.O.[Ca+2]
InChi Key
WQFDRFDIWAMOPA-UHFFFAOYSA-L
InChi Code
InChI=1S/2C5H8O3.Ca.2H2O/c2*1-4(6)2-3-5(7)8;;;/h2*2-3H2,1H3,(H,7,8);;2*1H2/q;;+2;;/p-2
Chemical Name
calcium;4-oxopentanoate;dihydrate
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)
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
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.2646 mL 16.3228 mL 32.6456 mL
5 mM 0.6529 mL 3.2646 mL 6.5291 mL
10 mM 0.3265 mL 1.6323 mL 3.2646 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
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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)
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  • 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:
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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.

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  • 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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