| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The primary reference for MC 1046 is the vitamin D receptor (VDR), as calcipotriol, the parent drug, is a ligand of VDR-like receptors. Calcipotriol is a synthetic analog of 1,25-dihydroxyvitamin D3 used for the treatment of psoriasis. MC 1046 is a metabolite and impurity of calcipotriol. As an impurity, MC 1046 may not have significant biological activity but is used as a reference standard for analytical purposes. The compound's structure is related to vitamin D analogs. Its primary relevance is in pharmaceutical quality control and analytical chemistry to monitor the purity of calcipotriol preparations.
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| ln Vitro |
MC 1046 itself does not have intrinsic pharmacological activity but is used as a reference standard for analytical purposes. Calcipotriol, the parent drug, is a ligand of VDR-like receptors and is used for the treatment of psoriasis. MC 1046 is the C22-23-unsaturated 24-ketone metabolite of calcipotriol. Its presence and quantity in calcipotriol preparations are monitored to ensure the quality and purity of pharmaceutical products. The compound is used in analytical methods such as HPLC to identify and quantify impurities. Its activity is not characterized in terms of pharmacological effects but rather in terms of analytical properties.
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| ln Vivo |
In vivo activity of MC 1046 is not applicable, as the compound is used as a reference standard for analytical purposes rather than as a therapeutic agent. Calcipotriol, the parent drug, has demonstrated in vivo activity in the treatment of psoriasis. MC 1046 itself is not administered therapeutically and is not intended for in vivo studies. Its primary use is in pharmaceutical quality control and analytical chemistry. The compound is not evaluated for pharmacological activity in vivo.
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| Enzyme Assay |
In vitro assays for MC 1046 are primarily analytical rather than pharmacological. High-performance liquid chromatography (HPLC) and mass spectrometry are used to identify and quantify MC 1046 in calcipotriol 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 (410.59 g/mol) and formula (C27H38O3) are confirmed by mass spectrometry. Stability studies may be performed to assess the compound's degradation under various conditions. MC 1046 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 MC 1046, 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 calcipotriol 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 MC 1046, 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. Calcipotriol, the parent drug, has been studied in animal models for its effects on psoriasis and skin conditions. MC 1046 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 MC 1046 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 C27H38O3 and a molecular weight of 410.59 g/mol. Its IUPAC name is (E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S.... Comprehensive pharmacokinetic parameters have not been characterized, as the compound is not intended for in vivo administration. The compound's properties support its use as an analytical reference standard.
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| Toxicity/Toxicokinetics |
MC 1046 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. MC 1046 is strictly intended for research purposes.
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| References |
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| Additional Infomation |
MC 1046 (Impurity A of Calcipotriol) is the C22-23-unsaturated 24-ketone metabolite of the anti-psoriatic vitamin D3 analog calcipotriol (MC 903). Calcipotriol is a ligand of VDR-like receptors. MC 1046 has a molecular formula of C27H38O3 and a molecular weight of 410.59 g/mol. It is used as a reference standard for analytical and quality control purposes to ensure the purity of calcipotriol preparations. The compound has not entered clinical trials and is available for research purposes only. MC 1046 is a valuable tool for pharmaceutical quality control and analytical method development.
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| Molecular Formula |
C27H38O3
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|---|---|
| Molecular Weight |
410.58882
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| Exact Mass |
410.282
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| CAS # |
126860-83-1
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| PubChem CID |
9547342
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
584.2±50.0 °C at 760 mmHg
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| Flash Point |
321.1±26.6 °C
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| Vapour Pressure |
0.0±3.7 mmHg at 25°C
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| Index of Refraction |
1.574
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| LogP |
4.95
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
784
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
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| InChi Key |
KKDBQSPKXAUHPH-NRCQPIEOSA-N
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| InChi Code |
InChI=1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1
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| Chemical Name |
(E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one
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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. (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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.4355 mL | 12.1776 mL | 24.3552 mL | |
| 5 mM | 0.4871 mL | 2.4355 mL | 4.8710 mL | |
| 10 mM | 0.2436 mL | 1.2178 mL | 2.4355 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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