| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
VDR/VD3 receptor
Calcipotriol Impurity C targets the vitamin D receptor (VDR)-like receptors, similar to its parent compound Calcipotriol. VDR is a nuclear receptor that regulates gene transcription involved in calcium homeostasis, cell proliferation, and differentiation. |
|---|---|
| ln Vitro |
As an impurity standard, Calcipotriol Impurity C itself is not typically evaluated for intrinsic in vitro pharmacological activity. However, Calcipotriol, the parent drug, exhibits antiproliferative activity against cancer cell lines and modulates keratinocyte differentiation. The impurity is used in analytical assays rather than biological activity studies.
|
| ln Vivo |
In vivo activity data for Calcipotriol Impurity C are not applicable, as this compound is used exclusively as a reference standard for quality control purposes. It is not administered to animals for pharmacological evaluation. Its relevance lies in the analytical characterization of Calcipotriol drug products rather than in vivo efficacy studies.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for Calcipotriol Impurity C are not performed as this compound is an analytical standard. However, related VDR binding assays for Calcipotriol involve incubating the compound with VDR-containing nuclear extracts and radiolabeled ligands, followed by measurement of displacement via scintillation counting or fluorescence polarization.
|
| Cell Assay |
Cell-based assays for Calcipotriol Impurity C are not applicable as it is a reference standard. Quality control testing of Calcipotriol drug substances utilizes high-performance liquid chromatography (HPLC) with UV detection to quantify impurity levels, following pharmacopoeial methods such as those described in the European Pharmacopoeia (EP) or USP monographs.
|
| Animal Protocol |
In vivo animal protocols for Calcipotriol Impurity C are not applicable. The compound is a chemical reference standard used in pharmaceutical quality control laboratories for analytical method validation (AMV) and stability studies of Calcipotriol-containing drug products, not for in vivo experimentation.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Calcipotriol Impurity C have not been characterized, as it is not a therapeutic agent. The compound is used solely as an analytical reference standard. Its chemical properties include a molecular weight of 412.6, formula C27H40O3, and solubility in DMSO (100 mg/mL).
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| Toxicity/Toxicokinetics |
Toxicological data for Calcipotriol Impurity C are not available, as the compound is not intended for human or animal administration. It is a research-grade reference standard used in controlled laboratory settings. Standard safety precautions for handling chemical reference standards should be followed, including the use of personal protective equipment.
|
| Additional Infomation |
See also: Calcipotriene (note moved to).
Calcipotriol Impurity C is a chemical reference standard used for the analytical testing of Calcipotriol (Calcipotriene), a vitamin D3 analog indicated for the topical treatment of plaque psoriasis. Calcipotriol was first approved in Europe in 1991 and is marketed in over 80 countries. The impurity is utilized in Abbreviated New Drug Application (ANDA) submissions, quality controlled (QC) applications, and commercial production of Calcipotriol. It is for research and analytical use only, not for human therapeutic application. |
| Molecular Formula |
C27H40O3
|
|---|---|
| Molecular Weight |
412.6047
|
| Exact Mass |
412.297
|
| CAS # |
113082-99-8
|
| PubChem CID |
9801803
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
582.0±50.0 °C at 760 mmHg
|
| Flash Point |
250.6±24.7 °C
|
| Vapour Pressure |
0.0±3.7 mmHg at 25°C
|
| Index of Refraction |
1.580
|
| LogP |
5.43
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
30
|
| Complexity |
743
|
| Defined Atom Stereocenter Count |
7
|
| SMILES |
C[C@H](/C=C/[C@H](C1CC1)O)[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
|
| InChi Key |
LWQQLNNNIPYSNX-GMGGYIQASA-N
|
| InChi Code |
InChI=1S/C27H40O3/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/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10+/t17-,22-,23-,24+,25-,26+,27-/m1/s1
|
| Chemical Name |
(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
|
| Synonyms |
113082-99-8; (5E)-Calcipotriol; (5E)-Calcipotriene; 5,6-trans-Calcipotriol; Calcipotriol, (5E)-; PRI 2205; PRI-2205; QRA3492A7Q;
|
| 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. |
| 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 (~242.37 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.06 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.06 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4237 mL | 12.1183 mL | 24.2365 mL | |
| 5 mM | 0.4847 mL | 2.4237 mL | 4.8473 mL | |
| 10 mM | 0.2424 mL | 1.2118 mL | 2.4237 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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