| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg | |||
| Other Sizes |
| Targets |
Human Endogenous Metabolite
Ercalcitriol targets the nuclear vitamin D receptor (VDR). It binds to VDR with high affinity, activating the receptor to interact with the retinoid X receptor (RXR). This forms the VDR/RXR/cofactor complex, which binds to vitamin D response elements (VDREs) in the promoter region of target genes to regulate gene transcription. Ercalcitriol strengthens immunity by regulating cathelicidin antimicrobial peptide (CAMP) and defensin beta-4 (DEFB4) genes in normal and transformed cells. |
|---|---|
| ln Vitro |
In vitro, ercalcitriol is a potent VDR agonist with high binding affinity. It activates VDR to interact with RXR and form the VDR/RXR/cofactor complex that binds to VDREs. The compound regulates the expression of target genes involved in calcium and phosphate homeostasis, bone metabolism, and immune function. It induces the expression of cathelicidin antimicrobial peptide (CAMP) and defensin beta-4 (DEFB4) genes in normal and transformed cells, combating pathogenic infections.
|
| ln Vivo |
In vivo, ercalcitriol exhibits equipotent antirachitic activity in rats as calcitriol. It is investigated for managing secondary hyperparathyroidism in patients with chronic kidney disease and related mineral metabolism disorders. Compared with calcitriol, ercalcitriol has a lower risk of hypercalcemia. It is used in research to explore vitamin D analog therapies.
|
| Enzyme Assay |
Non-cellular receptor binding assays for ercalcitriol involve competitive radioligand binding displacement studies using VDR preparations. The receptor is incubated with a radiolabeled VDR ligand (e.g., [³H]calcitriol) and varying concentrations of ercalcitriol. Following incubation and filtration, bound radioactivity is measured by scintillation counting. IC₅₀ values are determined from displacement curves and converted to Ki values using the Cheng-Prusoff equation.
|
| Cell Assay |
In vitro cellular assays for ercalcitriol involve treating cells expressing VDR with the compound and measuring receptor-mediated gene transcription. Cells are treated with varying concentrations of ercalcitriol, and the expression of VDR target genes (e.g., CYP24A1, osteocalcin, CAMP, DEFB4) is quantified by qPCR or reporter gene assays using VDRE-luciferase constructs. The compound's ability to induce gene expression is compared to that of calcitriol.
|
| Animal Protocol |
In vivo animal experiments with ercalcitriol are conducted in rat models of vitamin D deficiency or secondary hyperparathyroidism. Rats are treated with ercalcitriol via oral or intravenous administration, and antirachitic activity is assessed by measuring bone mineralization and serum calcium and phosphate levels. The compound's effects on PTH levels and bone turnover markers are evaluated. Ercalcitriol's equipotent antirachitic activity compared to calcitriol has been demonstrated in these models.
|
| ADME/Pharmacokinetics |
Ercalcitriol has a molecular weight of 428.65 and a molecular formula of C₂₈H₄₄O₃. It is a solid powder with a purity of ≥95%. The compound is soluble in DMSO (10 mM). It is typically stored desiccated at -20°C. The compound is stable under recommended storage conditions.
|
| Toxicity/Toxicokinetics |
Ercalcitriol is a research compound for laboratory use only and is not approved for human therapeutic use. In preclinical studies, it has been generally well-tolerated at therapeutic doses. As a VDR agonist, it may cause hypercalcemia if doses are not properly adjusted. Standard laboratory safety precautions should be followed when handling the compound. It may cause skin, eye, and respiratory irritation.
|
| References | |
| Additional Infomation |
1α,25-Dihydroxyvitamin D2 is a hydroxycalciferol, which is vitamin D2 with additional hydroxyl substituents at the 1α and 25 positions. It plays a role in maintaining bone density, as an exogenous metabolite in the human body, and as a nutritional supplement. It is a hydroxycalciferol, an ergosterol, and a form of vitamin D. Functionally, it is related to vitamin D2.
See also: 1,25-Dihydroxyergocalciferol (note moved here). Ercalcitriol (1α,25-Dihydroxyvitamin D2; CAS 60133-18-8) is the active metabolite of vitamin D2 and a potent VDR agonist. It exhibits equipotent antirachitic activity in rats as calcitriol. Ercalcitriol regulates gene transcription through VDR/RXR binding to VDREs and strengthens immunity by regulating antimicrobial peptide genes. It is used in research for vitamin D analog therapies. |
| Molecular Formula |
C28H44O3
|
|---|---|
| Molecular Weight |
428.64716
|
| Exact Mass |
428.329
|
| Elemental Analysis |
C, 78.46; H, 10.35; O, 11.20
|
| CAS # |
60133-18-8
|
| Related CAS # |
Ercalcitriol-13C,d3
|
| PubChem CID |
9547243
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
577.7±50.0 °C at 760 mmHg
|
| Flash Point |
242.5±24.7 °C
|
| Vapour Pressure |
0.0±3.6 mmHg at 25°C
|
| Index of Refraction |
1.554
|
| LogP |
6.15
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
31
|
| Complexity |
758
|
| Defined Atom Stereocenter Count |
7
|
| SMILES |
C=C1[C@H](C[C@@H](C/C1=C/C=C2[C@]3([C@@](C)([C@H](CC3)[C@@H](/C=C/[C@@H](C(C)(O)C)C)C)CCC/2)[H])O)O
|
| InChi Key |
ZGLHBRQAEXKACO-XJRQOBMKSA-N
|
| InChi Code |
InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
|
| Chemical Name |
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
|
| Synonyms |
RO-17-6218; RO17-6218; RO 17-6218; Ercalcitriol; 1,25-Dihydroxyvitamin D2; 1,25-Dihydroxycalciferol; 1,25-Dihydroxyergocalciferol
|
| 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. (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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~233.3 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.83 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 (5.83 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 (5.83 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 | 2.3329 mL | 11.6645 mL | 23.3291 mL | |
| 5 mM | 0.4666 mL | 2.3329 mL | 4.6658 mL | |
| 10 mM | 0.2333 mL | 1.1665 mL | 2.3329 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
