| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
(1S)-Calcitriol acts as a ligand for the Vitamin D Receptor (VDR). It exhibits potent VDR-mediated actions, such as the inhibition of keratinocyte growth and the suppression of parathyroid hormone (PTH) secretion. It is distinguished from calcitriol by having reduced calcemic activity, meaning it has less effect on raising serum calcium levels.
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|---|---|
| ln Vitro |
3‐epi‐Calcitroic acid is the final product of rat CYP24A1's metabolism of (1S)‐Calcitriol (1α,25‑Dihydroxy‑3‑epi‑vitamin‑D3; 3‑epi‑1a,25(OH)2D3)[1].
(1S)-Calcitriol is a potent suppressor of parathyroid hormone (PTH) secretion and keratinocyte growth. As a 3-epimer, it displays a unique biological profile: it retains many VDR-mediated genomic actions, such as cell growth inhibition, but has a significantly lower impact on calcium mobilization (calcemic activity) compared to its parent compound, calcitriol. |
| ln Vivo |
(1S)-Calcitriol is a natural metabolite found in the body. It has been studied in vivo for its ability to suppress PTH secretion, making it a potential candidate for treating secondary hyperparathyroidism in chronic kidney disease (CKD) without causing dangerous elevations in blood calcium levels.
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| Enzyme Assay |
Cell-free VDR binding assays are performed by incubating the vitamin D receptor (VDR) with radiolabeled 1alpha,25(OH)2D3 and varying concentrations of the competing (1S)-Calcitriol. After incubation, bound and free ligands are separated, and the half-maximal inhibitory concentration (IC50) is determined.
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| Cell Assay |
Cellular assays are performed using keratinocytes to assess growth inhibition. Human keratinocytes are treated with (1S)-Calcitriol for 48-96 hours. Cell proliferation is quantified by measuring DNA synthesis (3H-thymidine incorporation) or via a standard colorimetric MTT cell viability assay to determine the half-maximal effective concentration (EC50) for growth suppression.
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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 |
The toxicological profile of (1S)-Calcitriol is characterized by its reduced calcemic effect. Unlike calcitriol, which can cause hypercalcemia and hypercalciuria at therapeutic doses, the 3-epimer offers a wider therapeutic window by maintaining suppressive effects on PTH without elevating serum calcium levels to a toxic range.
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| References | |
| Additional Infomation |
(1S)-Calcitriol is the C-3 epimer of the active vitamin D hormone, calcitriol. It is a valuable research compound for developing "non-calcemic" vitamin D analogs. Its potential application lies in treating conditions that benefit from VDR activation, such as psoriasis and hyperparathyroidism, without the dose-limiting toxicities associated with calcium metabolism. It is for research use only.
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| Molecular Formula |
C27H44O3
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|---|---|
| Molecular Weight |
416.636
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| Exact Mass |
416.329
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| CAS # |
61476-45-7
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| Related CAS # |
Calcitriol;32222-06-3
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| PubChem CID |
5283736
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| Appearance |
White to off-white solid powder
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| LogP |
5.1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
30
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| Complexity |
688
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C12(C([H])([H])C([H])([H])C([H])([H])/C(=C(\C(=C3/C(C(C(C(O[H])([H])C/3([H])[H])([H])[H])(O[H])[H])=C([H])[H])\[H])/[H])/C1(C(C(C2(C(C(C(C(C(O[H])(C([H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])([H])[H])(C([H])([H])[H])[H])[H])([H])[H])([H])[H])[H])C([H])([H])[H]
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| InChi Key |
GMRQFYUYWCNGIN-GNVXBELXSA-N
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| InChi Code |
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25+,27-/m1/s1
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| Chemical Name |
(1S,3S,5Z)-5-[(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]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: (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)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (240.02 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.00 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.00 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4002 mL | 12.0008 mL | 24.0015 mL | |
| 5 mM | 0.4800 mL | 2.4002 mL | 4.8003 mL | |
| 10 mM | 0.2400 mL | 1.2001 mL | 2.4002 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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