| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 2mg | |||
| Other Sizes |
| Targets |
Impurity C of Calcitriol does not have a specific biological target as it is an impurity rather than an active pharmaceutical ingredient. The parent compound, calcitriol, targets the vitamin D receptor (VDR), a nuclear receptor that regulates gene expression involved in calcium homeostasis, bone metabolism, and cell proliferation. As an impurity, Impurity C is used primarily for analytical purposes and is not intended to have biological activity. Its structure is a triazoline adduct of pre-calcitriol.
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|---|---|
| ln Vitro |
In vitro activity of Impurity C of Calcitriol is not applicable as the compound is a reference standard for analytical testing rather than a bioactive compound. The parent compound, calcitriol, is a VDR agonist with potent activity in regulating calcium and phosphate metabolism. Impurity C is used to ensure the purity and quality of calcitriol drug substance and drug products. Its presence and quantification are important for regulatory compliance and product safety. No specific biological activity is attributed to this impurity.
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| ln Vivo |
In vivo activity of Impurity C of Calcitriol is not applicable as the compound is an impurity and not intended for therapeutic use. Calcitriol, the parent compound, is an active metabolite of vitamin D3 that activates the vitamin D receptor (VDR) and regulates calcium homeostasis. It is used clinically to treat various diseases such as osteoporosis, psoriasis, and renal osteodystrophy. Impurity C is used as a reference standard in quality control and has no therapeutic application.
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| Enzyme Assay |
The in vitro assay for Impurity C of Calcitriol is an analytical method rather than a biological assay. High-performance liquid chromatography (HPLC) or ultra-performance liquid chromatography (UPLC) is typically used to separate and quantify Impurity C in calcitriol samples. The impurity is identified by its retention time and UV spectrum compared to a reference standard. The assay is used for analytical method development, method validation, and quality control (QC) applications for abbreviated new drug applications (ANDA) or during commercial production of calcitriol.
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| Cell Assay |
In vitro cellular assays for Impurity C of Calcitriol are not applicable as the compound is an analytical reference standard rather than a bioactive compound. The parent compound, calcitriol, can be tested in cellular assays to measure VDR activation, such as reporter gene assays or gene expression analysis. However, Impurity C is not used in such assays. Its utility is limited to analytical chemistry applications for the quality control of calcitriol drug products.
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| Animal Protocol |
In vivo animal studies for Impurity C of Calcitriol are not applicable as the compound is an impurity and not intended for therapeutic use. The parent compound, calcitriol, has been extensively studied in animal models for its effects on calcium homeostasis, bone metabolism, and cell proliferation. However, Impurity C is not administered to animals for pharmacological studies. Its use is limited to analytical testing in the pharmaceutical industry.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Impurity C of Calcitriol are not applicable as the compound is an impurity rather than a therapeutic agent. The compound has a molecular formula of C35H49N3O5. Calcitriol, the parent compound, has well-characterized pharmacokinetic properties, including rapid absorption, protein binding, and hepatic metabolism. However, Impurity C is not administered therapeutically, and its pharmacokinetics are not relevant. The compound is used as a reference standard in analytical method development.
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| Toxicity/Toxicokinetics |
Toxicology data for Impurity C of Calcitriol are not extensively reported. As an impurity, its toxicity is evaluated as part of the safety assessment of calcitriol drug products. Regulatory guidelines require that impurities be controlled to safe levels. The compound's structure as a triazoline adduct suggests it may have different properties than calcitriol. However, specific toxicity data are not available. The compound is not intended for therapeutic use.
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| References | |
| Additional Infomation |
Impurity C of Calcitriol is a major impurity of calcitriol, the hormonally active form of vitamin D3. It is also known as the triazoline adduct of pre-calcitriol. Calcitriol activates the vitamin D receptor (VDR) and is used to treat osteoporosis, psoriasis, and renal osteodystrophy. Impurity C is used as a reference standard for analytical method development, validation, and quality control in the pharmaceutical industry. It is for research use only.
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| Molecular Formula |
C35H49N3O5
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|---|---|
| Molecular Weight |
591.78066
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| Exact Mass |
591.367
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| CAS # |
86307-44-0
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| PubChem CID |
92030569
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| Appearance |
White to off-white solid powder
|
| LogP |
5.058
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
43
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| Complexity |
1170
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(CC(CC1O)O)C2C=C3C4CCC(C4(CCC3N5N2C(=O)N(C5=O)C6=CC=CC=C6)C)C(C)CCCC(C)(C)O
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| InChi Key |
AYDPRRXRNSGAGP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3
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| Chemical Name |
7-(3,5-dihydroxy-2-methylcyclohexen-1-yl)-13-(6-hydroxy-6-methylheptan-2-yl)-14-methyl-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~84.49 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 | 1.6898 mL | 8.4491 mL | 16.8982 mL | |
| 5 mM | 0.3380 mL | 1.6898 mL | 3.3796 mL | |
| 10 mM | 0.1690 mL | 0.8449 mL | 1.6898 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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