| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The primary reference for doxercalciferol impurity is the vitamin D receptor (VDR), as it is a related substance to doxercalciferol, which is a VDR agonist. Doxercalciferol is a synthetic analog of ergocalciferol (vitamin D2) that suppresses parathyroid hormone synthesis and secretion. It is used for the treatment of secondary hyperparathyroidism and metabolic bone disease. The impurity itself may not have significant biological activity but is used as a reference standard for analytical purposes. The compound's chemical structure is related to vitamin D analogs. As an impurity, its primary relevance is in pharmaceutical quality control and analytical chemistry.
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| ln Vitro |
The impurity itself does not have intrinsic pharmacological activity but is used as a reference standard for analytical purposes. Doxercalciferol, the parent drug, normalizes serum calcium and parathyroid hormone (PTH) levels in nephrectomy-treated mice. The impurity is a related substance that may be present in doxercalciferol preparations. Its presence and quantity are monitored to ensure the quality and purity of pharmaceutical preparations. The compound is used in analytical methods such as HPLC to identify and quantify impurities in doxercalciferol drug substance and drug products. Its activity is not characterized in terms of pharmacological effects but rather in terms of analytical properties such as retention time and spectral characteristics.
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| ln Vivo |
In vivo activity of doxercalciferol impurity is not applicable, as the compound is used as a reference standard for analytical purposes rather than as a therapeutic agent. Doxercalciferol, the parent drug, has demonstrated in vivo activity in normalizing serum calcium and parathyroid hormone levels in nephrectomy-treated mice. The impurity itself is not administered therapeutically and is not intended for in vivo studies. Its primary use is in pharmaceutical quality control and analytical chemistry to ensure the purity of doxercalciferol preparations. The compound is not evaluated for pharmacological activity in vivo.
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| Enzyme Assay |
In vitro assays for doxercalciferol impurity are primarily analytical rather than pharmacological. High-performance liquid chromatography (HPLC) and mass spectrometry are used to identify and quantify the impurity in doxercalciferol preparations. The compound's retention time and spectral characteristics are compared to reference standards to confirm its identity. Purity analysis is performed using HPLC with UV detection. The compound's molecular weight (412.65 g/mol) and formula (C28H44O2) are confirmed by mass spectrometry. Stability studies may be performed to assess the compound's degradation under various conditions. The impurity is used as a reference standard in pharmaceutical quality control laboratories.
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| Cell Assay |
In vitro cellular assays are not applicable for doxercalciferol impurity, as the compound is used as a reference standard for analytical purposes rather than for biological activity studies. The compound is not evaluated in cell-based assays for pharmacological activity. Its primary use is in pharmaceutical quality control to ensure the purity of doxercalciferol preparations. If cellular assays were to be performed, appropriate cell lines expressing the vitamin D receptor could be used to assess any potential biological activity of the impurity. However, such studies are not typically conducted for impurities. The compound is intended for research use as an analytical standard.
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| Animal Protocol |
In vivo animal studies are not applicable for doxercalciferol impurity, as the compound is used as a reference standard for analytical purposes rather than as a therapeutic agent. The impurity is not administered to animals for efficacy or safety studies. Doxercalciferol, the parent drug, has been studied in animal models for its effects on serum calcium and parathyroid hormone levels. The impurity itself is not evaluated in animal models. Its primary use is in pharmaceutical quality control and analytical chemistry.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of doxercalciferol impurity are not relevant, as the compound is used as a reference standard for analytical purposes rather than as a therapeutic agent. The compound has a molecular formula of C28H44O2 and a molecular weight of 412.65 g/mol. Its chemical name is (1R,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-1,3a-dihydrogenio-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol. The compound is soluble in DMSO. Comprehensive pharmacokinetic parameters have not been characterized, as the compound is not intended for in vivo administration.
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| Toxicity/Toxicokinetics |
Doxercalciferol impurity is intended for laboratory research use only and has not undergone toxicology testing for therapeutic applications. As an impurity of a pharmaceutical compound, its toxicity profile would be relevant for quality control purposes to ensure that impurity levels are within acceptable limits. The compound is used as a reference standard for analytical purposes. Standard handling precautions for chemical research compounds should be followed. Comprehensive toxicological characterization has not been reported, as the compound is not intended for human use. Doxercalciferol impurity is strictly intended for research purposes.
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| References |
Nephron Exp Nephrol.2011;119(3):e67-74;J Card Fail.2011 Dec;17(12):1051-8;Am J Physiol Renal Physiol.2011 Mar;300(3):F801-10.
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| Additional Infomation |
Doxercalciferol Impurity is an impurity of doxercalciferol, a synthetic analog of ergocalciferol (vitamin D2) used for secondary hyperparathyroidism and metabolic bone disease. Doxercalciferol suppresses parathyroid hormone synthesis and secretion. The impurity has a molecular formula of C28H44O2 and a molecular weight of 412.65 g/mol. It is used as a reference standard for analytical and quality control purposes to ensure the purity of doxercalciferol preparations. The compound has not entered clinical trials and is available for research purposes only. Doxercalciferol impurity is a valuable tool for pharmaceutical quality control and analytical method development.
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| Molecular Formula |
C28H44O2
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|---|---|
| Molecular Weight |
412.64776
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| Exact Mass |
412.334
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| CAS # |
127516-23-8
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| Related CAS # |
Doxercalciferol;54573-75-0;trans-Doxercalciferol;74007-20-8
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| PubChem CID |
21767860
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| Appearance |
White to off-white solid powder
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| LogP |
6.611
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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 |
5
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| Heavy Atom Count |
30
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| Complexity |
712
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| Defined Atom Stereocenter Count |
7
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| SMILES |
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C
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| InChi Key |
HKXBNHCUPKIYDM-BLKIPSJVSA-N
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| InChi Code |
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27+,28+/m0/s1
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| Chemical Name |
(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-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
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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 (~242.34 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 | 2.4234 mL | 12.1168 mL | 24.2336 mL | |
| 5 mM | 0.4847 mL | 2.4234 mL | 4.8467 mL | |
| 10 mM | 0.2423 mL | 1.2117 mL | 2.4234 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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