| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Calcifediol-d3 targets the vitamin D receptor (VDR) as an effective VDR ligand. Calcifediol is a prohormone of the vitamin D endocrine system (VDES) and is hydroxylated in the liver to produce the active form, calcitriol. It plays a significant role in calcium homeostasis and bone metabolism. The compound is a labelled metabolite of vitamin D. Calcifediol can rapidly increase serum vitamin D levels.
|
|---|---|
| ln Vitro |
In vitro, Calcifediol-d3 is used as a stable isotope-labeled compound for research purposes. Calcifediol is an effective VDR ligand. The deuterated form is used as a tracer for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. The compound is supplied for research purposes only. Specific in vitro activity data are not detailed in the available sources.
|
| ln Vivo |
In vivo, Calcifediol-d3 is a labelled metabolite of vitamin D. Calcifediol can rapidly increase serum vitamin D levels. The compound is used in research to study vitamin D metabolism and pharmacokinetics. Deuteration can affect the pharmacokinetic and metabolic profiles of drugs. The compound is used as an internal standard for quantitation in drug development. Specific in vivo efficacy data are not detailed in the available sources.
|
| Enzyme Assay |
Non-cell-based assays for Calcifediol-d3 typically involve analytical chemistry methods such as liquid chromatography-mass spectrometry (LC-MS) for quantitation. The compound is used as an internal standard for the measurement of calcifediol levels in biological samples. Standard protocols include spiking known amounts of the deuterated compound into samples, followed by extraction, chromatography, and mass spectrometric detection. The deuterium label allows for differentiation from endogenous calcifediol. The compound is used in drug development processes for quantitation.
|
| Cell Assay |
Cell-based assays for Calcifediol-d3 are not typically performed directly, as it is primarily used as an analytical standard. However, calcifediol itself is an effective VDR ligand and can be used in cell-based assays to study VDR-mediated signaling. Standard protocols involve culturing cells in appropriate media at 37°C in 5% CO₂, followed by treatment with calcifediol or calcifediol-d3 at varying concentrations for 24-72 hours. VDR activation is assessed by measuring target gene expression via qPCR or reporter gene assays. The deuterated compound is used as a tracer.
|
| Animal Protocol |
In vivo animal studies for Calcifediol-d3 are not typically performed directly, as it is primarily used as an analytical standard. However, calcifediol itself is used in animal studies to study vitamin D metabolism and pharmacokinetics. Standard protocols include administration via oral gavage or injection in rodent models, followed by blood sampling at various time points for calcifediol measurement using LC-MS with the deuterated compound as an internal standard. The compound is used in drug development processes. All animal studies must comply with institutional ethical guidelines.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties for Calcifediol-d3 are consistent with calcifediol, the major circulating metabolite of vitamin D3. The compound has a molecular weight of 403.66 g/mol and shows solubility in DMSO (100 mg/mL). It should be stored at 4°C, protected from light, under nitrogen; in solvent at -80°C for 6 months or -20°C for 1 month. For in vivo administration, formulations using 10% DMSO + 90% (20% SBE-β-CD in saline) or 10% DMSO + 90% corn oil are recommended.
|
| References |
|
| Additional Infomation |
Calcifediol-d3 is a deuterium-labeled form of calcifediol, the major circulating metabolite of vitamin D3. It is used as an internal standard for quantitation in drug development. Deuteration can affect the pharmacokinetic and metabolic profiles of drugs. Calcifediol is a prohormone of the vitamin D endocrine system and an effective VDR ligand. It plays a significant role in calcium homeostasis and bone metabolism. The compound is for research use only.
|
| Molecular Formula |
C27H41D3O2
|
|---|---|
| Molecular Weight |
403.66
|
| Exact Mass |
403.353
|
| CAS # |
140710-94-7
|
| Related CAS # |
Calcifediol;19356-17-3
|
| PubChem CID |
71314475
|
| Appearance |
White to light yellow solid powder
|
| LogP |
6.733
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
29
|
| Complexity |
655
|
| Defined Atom Stereocenter Count |
5
|
| SMILES |
[2H]C(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O)[2H]
|
| InChi Key |
JWUBBDSIWDLEOM-CMMPNOGOSA-N
|
| InChi Code |
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i1D2,12D
|
| Chemical Name |
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
|
| 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: (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. |
| 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) |
DMSO: 100 mg/mL (247.73 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.19 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.19 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4773 mL | 12.3867 mL | 24.7733 mL | |
| 5 mM | 0.4955 mL | 2.4773 mL | 4.9547 mL | |
| 10 mM | 0.2477 mL | 1.2387 mL | 2.4773 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.
Link: https://clinicaltrials.gov/ct2/show/NCT05306704
Conditions:HIV-1-infection|Hypovitaminosis DLink: https://clinicaltrials.gov/ct2/show/NCT03334136
Conditions:Psoriasis|Vitamin D DeficiencyLink: https://clinicaltrials.gov/ct2/show/NCT01398202
Conditions:Vitamin D Status as Reflected by Serum 25-hydroxyvitamin DProducts are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
