| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The primary target of vitamin D3 is the vitamin D receptor (VDR), a nuclear receptor that regulates gene expression involved in calcium absorption, bone mineralization, and immune function. Vitamin D3 is hydroxylated to 25-hydroxyvitamin D3 and then to 1,25-dihydroxyvitamin D3, the active form that binds VDR. The deuterated form retains the same chemical structure and biological activity as vitamin D3 but is used only as an analytical tracer.
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|---|---|
| ln Vitro |
In vitro activity data for VD3-D6 are not applicable, as it is not used as a bioactive compound. It is employed as an internal standard in analytical assays, where it is spiked into samples at a fixed concentration to correct for matrix effects and extraction efficiency during LC-MS/MS quantification of vitamin D3 and its metabolites.
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| ln Vivo |
In vivo activity data for VD3-D6 are not available, as it is not administered as a therapeutic agent. It is used as an internal standard in pharmacokinetic studies of vitamin D3 in animals and humans. Plasma concentrations of 25-hydroxyvitamin D3 and 1,25-dihydroxyvitamin D3 are measured by LC-MS/MS using the deuterated standard for accurate quantification.
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| Enzyme Assay |
For non-cellular analytical assays, VD3-D6 is used as an internal standard in LC-MS/MS methods. Biological samples (plasma, serum) are extracted by protein precipitation or liquid-liquid extraction, and the deuterated standard is added before extraction. Chromatographic separation is achieved on a C18 column with a gradient of water/methanol containing formic acid. Quantification is performed by multiple reaction monitoring (MRM) in positive ion mode.
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| Cell Assay |
For cell-based assays, VD3-D6 is not used, as it lacks biological activity and cellular targets. Its non-deuterated counterpart may be tested in cell-based assays for VDR activation, but the deuterated standard is used only for analytical quantification.
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| Animal Protocol |
For in vivo experiments, VD3-D6 is not administered as a drug. In clinical studies, vitamin D3 is administered to animals or humans, and blood samples are collected at various time points. The deuterated standard is added to plasma samples before extraction and LC-MS/MS analysis.
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| References |
| Molecular Formula |
C27H44O
|
|---|---|
| Molecular Weight |
384.63766
|
| Exact Mass |
390.377
|
| CAS # |
118584-54-6
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| Related CAS # |
Vitamin D3; 67-97-0
|
| PubChem CID |
66577030
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| Appearance |
White to light yellow solid powder
|
| LogP |
7.619
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
6
|
| Heavy Atom Count |
28
|
| Complexity |
610
|
| Defined Atom Stereocenter Count |
5
|
| SMILES |
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C([2H])([2H])[2H]
|
| InChi Key |
QYSXJUFSXHHAJI-HCXPDEKJSA-N
|
| InChi Code |
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i1D3,2D3
|
| Chemical Name |
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. (3). This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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) |
DMSO: ~66.7 mg/mL (~170.7 mM; with ultrasonication)
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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 | 2.5998 mL | 12.9992 mL | 25.9983 mL | |
| 5 mM | 0.5200 mL | 2.5998 mL | 5.1997 mL | |
| 10 mM | 0.2600 mL | 1.2999 mL | 2.5998 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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