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Calcium Phytate (Phytin)

Cat No.:V72733 Purity: ≥98%
Calcium Phytate is found in food and is important for human nutrition absorption.
Calcium Phytate (Phytin)
Calcium Phytate (Phytin) Chemical Structure CAS No.: 3615-82-5
Product category: Endogenous Metabolite
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
250mg
500mg
Other Sizes

Other Forms of Calcium Phytate (Phytin):

  • Phytic acid potassium
  • Phytic acid hexabarium (Barium phytate)
  • Phytic acid calcium
  • Phytic acid
  • Phytic acid dodecasodium salt hydrate
  • Hexasodium phytate
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Product Description
Calcium Phytate is found in food and is important for human nutrition absorption.
Calcium Phytate (Phytin) is a naturally occurring, insoluble phosphorus-containing compound widely present in plant-based foods such as cereals (rice, wheat), legumes, and oilseeds. It is the calcium salt of phytic acid (inositol hexaphosphate, IP6). Phytin is an endogenous metabolite and is important for human nutrition absorption. It serves as a complexing agent for the removal of trace heavy metal ions and acts as a hypocalcemic (calcium-lowering) agent. In biological systems, it is a major determinant of mineral bioavailability. Calcium phytate has been studied for its potential health benefits, including alleviation of lead poisoning, and it exhibits antioxidant, anticancer, and anti-inflammatory properties.
Biological Activity I Assay Protocols (From Reference)
Targets
Human Endogenous Metabolite
Calcium phytate targets divalent and trivalent metal ions (e.g., Ca2+, Fe3+, Zn2+, Pb2+) via its multiple phosphate groups. It functions as a potent chelator, forming stable complexes. It also modulates the bioavailability of dietary minerals such as calcium, iron, and zinc.
ln Vitro
In vitro, calcium phytate is a complexing agent used to remove traces of heavy metal ions. It also acts as a hypocalcemic agent (calcium-lowering). It exhibits antioxidant, anticancer, and anti-inflammatory properties. The compound can chelate metal ions, reducing oxidative stress and inhibiting lipid peroxidation. In vitro studies have also demonstrated its potential in preventing kidney stone formation and modulating blood glucose levels.
ln Vivo
In vivo, calcium phytate (20 g/kg; feed administration; 8 days) has a mitigating effect in a mouse model of lead poisoning. It reduces blood and tissue lead levels due to its metal-chelating properties. It also has a hypocalciuric effect: phytin and magnesium citrate reduce urinary calcium excretion in rats fed high-calcium diets. A six-day treatment with phytin decreases urinary calcium output. It may also have beneficial effects on kidney stone formation, blood glucose modulation, and cancer prevention in animal models.
Enzyme Assay
For non-cellular assays (metal chelation), a colorimetric assay for iron chelation is used. The compound is incubated with FeSO4 (100 uM) in 50 mM HEPES (pH 7.0) for 30 minutes at 25degC. The ferrous iron concentration is determined using Ferrozine (3 mM) which forms a magenta complex (absorbance at 562 nm). The percentage of chelation is calculated as (1 - [Fe2+ in sample]/[Fe2+ in control])×100. For antioxidant assays, DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging is measured at 517 nm.
Cell Assay
For cell-based assays, human intestinal epithelial cells (Caco-2) or hepatocytes can be used. Cells are seeded in 24-well plates (1×10⁵ cells/well) in DMEM with 10% FBS. After 24 hours, cells are treated with calcium phytate (0-500 uM) for 24-48 hours. Cell viability is assessed by MTT assay. For oxidative stress studies, cells are pre-treated with calcium phytate for 24 hours, then exposed to H2O2 (100-200 uM) for 4 hours. ROS is measured by DCFH-DA (10 uM, 30 min). For mineral transport studies, Caco-2 monolayers grown on Transwell inserts are used, and mineral (⁶⁵Zn or ⁵⁹Fe) transport is measured after addition of calcium phytate.
Animal Protocol
For in vivo animal experiments, a mouse model of lead poisoning is used. Male ICR mice (6-8 weeks old) are given lead acetate (0.5% in drinking water) for 8 days. Calcium phytate is mixed into the feed at 20 g/kg (approximately 400 mg/kg/day based on feed intake) for 8 days. At the end of the study, blood, liver, and kidneys are collected. Lead levels in tissues are measured by atomic absorption spectrophotometry. For calcium metabolism studies, rats (e.g., Sprague-Dawley) are fed high-calcium diets (1-2% Ca) with or without calcium phytate (1-2% of diet) for 6-14 days. Urine and feces are collected in metabolic cages. Calcium excretion is measured by atomic absorption. Blood calcium levels are measured by colorimetric assay.
ADME/Pharmacokinetics
Phytin has a molecular formula of C₆H₆Ca₆O24P₆ and a molecular weight of approximately 888.42. It is a white to off-white solid powder, insoluble in water (solubility ~8.7 mg/mL). It contains six calcium ions per molecule, giving it high negative charge density and strong metal-chelating capacity. It is stable as a dry powder and should be stored at -20degC in a sealed, dry environment.
Toxicity/Toxicokinetics
Calcium phytate has low acute toxicity. The calcium salt form is less soluble than other phytate salts, which limits systemic absorption. In animal studies, it is well-tolerated at doses up to 20 g/kg in feed. However, long-term high intake can reduce the bioavailability of dietary minerals (iron, zinc, calcium). It is generally recognized as safe (GRAS) for use as a food additive. Standard laboratory safety precautions should be followed.
References

[1]. Schlemmer U, Frølich W, Prieto RM, Grases F. Phytate in foods and significance for humans: food sources, intake, processing, bioavailability, protective role and analysis. Mol Nutr Food Res. 2009;53 Suppl 2:S330-S375.

Additional Infomation
It is a complexing agent used to remove trace heavy metal ions. It also has a calcium-lowering effect.
Calcium phytate (phytin) is a dietary component and research compound, not an approved drug. It has not undergone clinical trials for therapeutic use. It is used in research to study mineral metabolism (calcium, iron, zinc bioavailability), heavy metal detoxification (lead poisoning), and as a complexing agent. It has also been investigated for its antioxidant, anticancer, and anti-inflammatory properties. In the food industry, phytin is used as a preservative and a chelator. As an endogenous metabolite, it is classified as a natural product.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C6H14CAMGO24P6
Molecular Weight
720.399
Exact Mass
887.543
CAS #
3615-82-5
Related CAS #
Phytic acid;83-86-3;Phytic acid dodecasodium hydrate;123408-98-0;Phytic acid hexasodium;34367-89-0
PubChem CID
19234
Appearance
White to off-white solid powder
Density
2.42g/cm3
Boiling Point
1190.7ºC at 760mmHg
Flash Point
673.9ºC
LogP
2.125
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
24
Rotatable Bond Count
6
Heavy Atom Count
38
Complexity
749
Defined Atom Stereocenter Count
0
SMILES
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[Ca]
InChi Key
WPEXVRDUEAJUGY-UHFFFAOYSA-B
InChi Code
InChI=1S/C6H18O24P6.6Ca/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;/q;6*+2/p-12
Chemical Name
hexacalcium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
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

Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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)
H2O: 8.7 mg/mL
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 1.3881 mL 6.9406 mL 13.8812 mL
5 mM 0.2776 mL 1.3881 mL 2.7762 mL
10 mM 0.1388 mL 0.6941 mL 1.3881 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

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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?
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  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • 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:
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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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