| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
This compound targets the Vitamin D Receptor (VDR). It acts as a natural metabolite that binds to VDR to regulate gene transcription. A key action of 1alpha-hydroxy-3-epi-vitamin D3 is as a potent inhibitor (blocker/antagonist) of parathyroid hormone (PTH) secretion, distinguishing it from the calcemic actions of 1alpha,25(OH)2D3.
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|---|---|
| ln Vitro |
An essential negative regulator of the transcription of the parathyroid hormone (PTH) gene is alpha, 25(OH)2D3[1]. 10 μM of 1α-OHD3 not only converted into 1αOH-3-epi-D3 and 1α,25(OH)2D3, but also 1α,25(OH)2-3-epi-D3 in ROS 17/2.8 cells[2].
In vitro studies in ROS 17/2.8 rat osteosarcoma cells show that 10 microM of the parent compound 1alpha-OHD3 is converted into 1alphaOH-3-epi-D3, 1alpha,25(OH)2D3, and 1alpha,25(OH)2-3-epi-D3. This highlights the compound's role as an intermediary in an alternative metabolic pathway of vitamin D. |
| ln Vivo |
This compound is a natural metabolite found circulating in vivo following administration of vitamin D. It suppresses parathyroid hormone (PTH) secretion, a key regulator of calcium homeostasis, but with reduced effects on serum calcium levels compared to the parent hormone. It is being studied for chronic kidney disease-mineral and bone disorder (CKD-MBD).
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| Enzyme Assay |
Cell-free binding assays are performed using the vitamin D receptor (VDR). This assay measures the compound's ability to compete with radiolabeled 1alpha,25(OH)2D3 for binding to the VDR. The half-maximal inhibitory concentration (IC50) is determined by scintillation counting after incubation and separation of bound and free ligand.
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| Cell Assay |
Cellular assays are performed in parathyroid cells to assess the inhibition of PTH secretion. Primary parathyroid cells or a parathyroid cell line are treated with the compound for 24 hours. The PTH concentration in the culture medium is measured by ELISA to determine the half-maximal inhibitory concentration (IC50) for PTH secretion.
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| Animal Protocol |
In vivo data is not available for this research compound. As a laboratory chemical for cell-based and in vitro studies, it is not typically formulated for animal pharmacokinetic or efficacy studies in a standard research setting.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties are not documented. As a laboratory chemical primarily for in vitro use, ADME (Absorption, Distribution, Metabolism, Excretion) data are not typically required or reported.
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| Toxicity/Toxicokinetics |
Toxicological and safety profiles have not been formally established. As a naturally occurring metabolite of vitamin D, its general safety is thought to be correlated with its action on PTH with a potentially wider therapeutic window. Standard precautions for handling chemicals apply.
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| References |
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| Additional Infomation |
This compound is used as an analytical standard for method development and quality control in the commercial production of Alfacalcidol (1alpha-hydroxyvitamin D3), a prodrug used for bone disease. It is a valuable research compound for understanding the complex, tissue-specific actions of vitamin D metabolites.
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| Molecular Formula |
C27H44O2
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|---|---|
| Molecular Weight |
400.6371
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| Exact Mass |
400.334
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| CAS # |
58028-00-5
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| Related CAS # |
Alfacalcidol;41294-56-8
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| PubChem CID |
5283717
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| Appearance |
White to light yellow solid powder
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| LogP |
6.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
29
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| Complexity |
643
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| Defined Atom Stereocenter Count |
6
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| SMILES |
O([H])[C@]1([H])C([H])([H])[C@@]([H])(C(=C([H])[H])/C(/C1([H])[H])=C(/[H])\C(\[H])=C1/C([H])([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]/1([H])C([H])([H])C([H])([H])[C@]2([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])O[H]
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| InChi Key |
OFHCOWSQAMBJIW-NIZRVZOPSA-N
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| InChi Code |
InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23+,24-,25+,26+,27-/m1/s1
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| Chemical Name |
(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: 50 mg/mL (124.80 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 | 2.4960 mL | 12.4800 mL | 24.9601 mL | |
| 5 mM | 0.4992 mL | 2.4960 mL | 4.9920 mL | |
| 10 mM | 0.2496 mL | 1.2480 mL | 2.4960 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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