| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite
D-Gluconic acid calcium hydrate does not have a specific biological target in the context of drug development. It is an endogenous metabolite and a calcium salt of gluconic acid. The compound's primary functions are as a calcium supplement and a chelating agent. It has antiseptic and bactericidal properties. As a calcium source, it provides calcium ions for various physiological processes. As a chelating agent, it can bind metal ions, which may contribute to its antimicrobial activity. |
|---|---|
| ln Vitro |
Pseudomonas produces the most important antifungal metabolite, D-gluconic acid, which is a simple sugar acid. str. AN5 in biocontrol protection against the all-consuming fungal pathogen[1].
In vitro, D-gluconic acid calcium hydrate exhibits bactericidal properties. It is an oxidized carboxylic acid with antiseptic and chelating properties. The compound is used as a calcium supplement in cell culture media and as a food additive. Its antimicrobial activity is attributed to its ability to chelate metal ions and disrupt bacterial cell membranes. No detailed IC50 or EC50 values have been published in the available literature. |
| ln Vivo |
No detailed in vivo activity data has been published for D-gluconic acid calcium hydrate as a therapeutic agent. The compound is primarily used as a calcium supplement and as a food additive. It is also used as a reagent in biochemical research. Its bactericidal properties may contribute to its use as a preservative in food and pharmaceutical products.
|
| Enzyme Assay |
The antimicrobial activity of D-gluconic acid calcium hydrate can be assessed using standard susceptibility testing methods. In a typical assay, bacterial cultures are grown in appropriate media and treated with varying concentrations of the compound. The minimum inhibitory concentration (MIC) is determined using the broth microdilution method. The compound's chelating properties can be assessed by measuring its ability to bind metal ions using spectrophotometric or electrochemical methods.
|
| Cell Assay |
The cellular activity of D-gluconic acid calcium hydrate is assessed in cell culture applications. The compound is used as a calcium supplement in cell culture media to provide calcium ions for cellular functions. Its effects on cell viability and proliferation can be assessed using MTT or CellTiter-Glo assays. The compound's antimicrobial activity can be assessed using bacterial culture assays.
|
| Animal Protocol |
No detailed in vivo animal model data has been published for D-gluconic acid calcium hydrate as a therapeutic agent. The compound is primarily used as a calcium supplement and as a food additive. It is generally recognized as safe (GRAS) for use in food and pharmaceutical products. Its safety and efficacy as a calcium supplement have been established through extensive use.
|
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data has been published for D-gluconic acid calcium hydrate. The compound has a molecular weight of 430.37 (for the hydrate, C12H24CaO15) or 448.39 (for the anhydrous form). It is soluble in water. As a calcium salt, it dissociates in solution to release calcium ions and gluconate. Calcium is absorbed in the intestine and distributed throughout the body. Gluconate is metabolized to glucose and carbon dioxide. The compound is generally recognized as safe for use in food and pharmaceutical products.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for D-gluconic acid calcium hydrate. The compound is generally recognized as safe (GRAS) for use in food and pharmaceutical products. It is commonly used as a calcium supplement and as a food additive. High doses of calcium can cause hypercalcemia, which may lead to nausea, vomiting, and constipation. The compound is not intended for therapeutic use as a drug.
|
| References | |
| Additional Infomation |
See also: calcium cation (with active portion).
D-Gluconic acid calcium hydrate (D-gluconic acid calcium salt, CAS# 66905-23-5) is an oxidized carboxylic acid with antiseptic and chelating properties. It is commonly used as a calcium supplement and as a food additive. The compound has bactericidal properties. It has the molecular formula C12H24CaO15 (for the hydrate) or C6H12O7·1/2Ca·1/2H2O. The compound is generally recognized as safe (GRAS) for use in food and pharmaceutical products. It is also used as a reagent in biochemical research. |
| Molecular Formula |
C6H12O7.1/2CA.1/2H2O
|
|---|---|
| Molecular Weight |
225.20
|
| Exact Mass |
448.074
|
| CAS # |
66905-23-5
|
| Related CAS # |
D-Gluconic acid potassium;299-27-4;D-Gluconic acid (solution);526-95-4
|
| PubChem CID |
23724989
|
| Appearance |
White to off-white solid powder
|
| Melting Point |
ca 195℃
|
| Hydrogen Bond Donor Count |
11
|
| Hydrogen Bond Acceptor Count |
15
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
28
|
| Complexity |
165
|
| Defined Atom Stereocenter Count |
8
|
| SMILES |
C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Ca+2]
|
| InChi Key |
XLNFVCRGJZBQGX-XRDLMGPZSA-L
|
| InChi Code |
InChI=1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1
|
| Chemical Name |
calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate
|
| 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 (In Vitro) |
H2O : 5 mg/mL (22.20 mM)
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|---|---|
| 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4405 mL | 22.2025 mL | 44.4050 mL | |
| 5 mM | 0.8881 mL | 4.4405 mL | 8.8810 mL | |
| 10 mM | 0.4440 mL | 2.2202 mL | 4.4405 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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