| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 2mg | |||
| Other Sizes |
| Targets |
Impurity B of Calcitriol does not have a specific pharmacological target, as it is a degradation product rather than a therapeutic agent. However, as a structural analog of calcitriol, it may interact with the vitamin D receptor (VDR) or other vitamin D-related proteins, although its affinity is likely lower than that of calcitriol. The compound is used primarily as a reference standard for analytical purposes in pharmaceutical quality control.
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|---|---|
| ln Vitro |
In vitro studies on Impurity B of Calcitriol are not typically performed, as the compound is used primarily as a reference standard for analytical purposes rather than for biological activity studies. The compound's structural similarity to calcitriol suggests that it may have some biological activity, but its effects have not been characterized. The compound is used in analytical chemistry for the identification and quantification of calcitriol impurities.
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| ln Vivo |
In vivo studies on Impurity B of Calcitriol are not applicable, as the compound is a reference standard used for analytical purposes and is not intended for therapeutic use. The compound is not administered to animals or humans and is not studied in vivo.
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| Enzyme Assay |
The in vitro assays for Impurity B of Calcitriol are analytical rather than biological. The compound is used as a reference standard in HPLC, LC-MS, or other analytical methods for the identification and quantification of calcitriol impurities in pharmaceutical formulations. In these assays, the compound is analyzed alongside calcitriol and other impurities to ensure the quality and purity of calcitriol products.
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| Cell Assay |
Cellular assays for Impurity B of Calcitriol are not performed, as the compound is a reference standard used for analytical purposes and is not intended for biological activity studies. The compound is not used in cell-based assays and is not studied for its effects on cells.
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| Animal Protocol |
In vivo animal studies for Impurity B of Calcitriol are not applicable. The compound is a reference standard used for analytical purposes and is not administered to animals.
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| ADME/Pharmacokinetics |
Impurity B of Calcitriol has a molecular formula of C27H44O3 and a molecular weight of approximately 416.64. The compound is a solid at room temperature and is typically stored under appropriate conditions to maintain its stability. For research use, the compound is stored as powder at -20degC for up to 3 years or at 4degC for up to 2 years. The compound is soluble in organic solvents such as methanol, ethanol, and DMSO for analytical applications. Detailed pharmacokinetic parameters are not applicable.
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| Toxicity/Toxicokinetics |
Toxicological data for Impurity B of Calcitriol are not available, as the compound is a reference standard used for analytical purposes and is not a therapeutic agent. The compound is not intended for human or animal use. Standard safety precautions should be followed when handling the compound for research purposes.
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| References | |
| Additional Infomation |
There have been reports of 1β-calcitriol being detected in Solanum glaucophyllum, and relevant data are available for reference.
Impurity B of Calcitriol (CAS#: 66791-71-7) is a byproduct or degradation product of calcitriol, the active form of vitamin D3. It has a molecular formula of C27H44O3 and a molecular weight of approximately 416.64. The compound is used as a reference standard for the identification and quantification of calcitriol impurities in pharmaceutical formulations and research samples. Impurity B is not a therapeutic agent and is not approved for clinical use. |
| Molecular Formula |
C₂₇H₄₄O₃
|
|---|---|
| Molecular Weight |
416.64
|
| Exact Mass |
416.329
|
| CAS # |
66791-71-7
|
| PubChem CID |
5283741
|
| Appearance |
White to yellow solid powder
|
| LogP |
5.704
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
30
|
| Complexity |
688
|
| Defined Atom Stereocenter Count |
6
|
| SMILES |
C[C@H](CCCC(C)(C)O)[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
|
| InChi Key |
GMRQFYUYWCNGIN-PEJFXWBPSA-N
|
| 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
|
| Chemical Name |
(1R,3R,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
|
| Synonyms |
1β,25-Dihydroxyvitamin-D3 1-Epicalcitriol
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| 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: 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 (~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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