| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Not applicable (analytical standard; parent compound octocrylene absorbs UVB and short UVA radiation). Octocrylene-d10 itself has no pharmacological target; it is an isotopically labeled compound used exclusively as an analytical reference standard. The parent compound octocrylene is a UV filter that protects skin from UV radiation by absorbing photons in the UVB and short UVA range and dissipating the energy as heat. Octocrylene is often used in combination with other UV filters to enhance photostability and broaden UV protection. However, Octocrylene-d10 is not used for its UV-absorbing properties; its value lies in its use as an internal standard for analytical quantification.
|
|---|---|
| ln Vitro |
Octocrylene-d10 is an isotopically labeled compound used as an internal standard for the quantification of octocrylene in environmental, cosmetic, and biological samples. It has no intrinsic biological activity beyond that of the parent UV filter. In analytical workflows, Octocrylene-d10 is spiked into samples at a known concentration prior to extraction and analysis. Because the deuterated isotopologue behaves identically to the unlabeled compound during sample preparation, chromatographic separation, and ionization, it corrects for analyte losses and matrix effects. The ratio of the peak area of unlabeled octocrylene to that of Octocrylene-d10 is used to calculate the concentration of octocrylene in the sample.
|
| ln Vivo |
Octocrylene-d10 is not intended for in vivo pharmacological studies; it is used as an analytical reference standard. The parent compound octocrylene is widely used as a UV filter in sunscreens and cosmetics. In vivo, octocrylene is absorbed through the skin to some extent and can be detected in plasma, urine, and breast milk. It has been detected in human biomonitoring studies, and its metabolites have been characterized. However, Octocrylene-d10 itself is not administered in vivo for pharmacological purposes; it is used exclusively as an analytical standard.
|
| Enzyme Assay |
Not applicable for biological assays. For analytical use, Octocrylene-d10 is spiked into samples (e.g., urine, plasma, environmental water, cosmetic formulations) as an internal standard prior to extraction and analysis by LC-MS/MS. Samples are typically prepared by solid-phase extraction (SPE) or liquid-liquid extraction to isolate octocrylene and its metabolites. Deuterium-labeled and unlabeled octocrylene are monitored using selected reaction monitoring (SRM) transitions, and the peak area ratio is used for quantification. The method has been validated for the determination of urinary metabolites of octocrylene.
|
| Cell Assay |
Not applicable (analytical standard; no cell-based activity). Octocrylene-d10 is used as an internal standard in analytical chemistry laboratories and is not used in cell-based assays. Quality control testing of the standard includes verification of isotopic purity (≥97 atom % D) and chemical purity (≥98.0% by HPLC).
|
| Animal Protocol |
Not applicable (analytical standard; not for in vivo studies). Octocrylene-d10 is used as an internal standard in analytical studies of environmental or biological samples, not for animal experiments. The parent compound octocrylene has been studied in animal models for its toxicokinetics and potential endocrine-disrupting effects, but Octocrylene-d10 itself is not used in such studies except as an analytical standard for measuring octocrylene concentrations.
|
| ADME/Pharmacokinetics |
Octocrylene-d10 is an analytical standard with no pharmacological pharmacokinetic properties. It is stable at room temperature for shipping and is typically stored as a powder at -20°C for long-term stability (up to 3 years). In analytical workflows, it is dissolved in suitable solvents (e.g., methanol, acetonitrile) at known concentrations for spiking into samples. The deuterated compound exhibits identical chromatographic behavior to unlabeled octocrylene, which is the basis for its use as an internal standard.
|
| Toxicity/Toxicokinetics |
Octocrylene-d10 is a stable isotope-labeled compound with no intended biological use. Standard laboratory safety practices apply; it is not intended for human consumption. The parent compound octocrylene is widely used in sunscreens and cosmetics with an established safety profile, though there is ongoing research into its potential endocrine-disrupting effects and environmental persistence. Octocrylene-d10 itself is an analytical standard and is handled with standard chemical safety precautions.
|
| References | |
| Additional Infomation |
Octocrylene-d10 is a research-grade deuterium-labeled compound used as an analytical internal standard for the quantification of octocrylene in various matrices (cosmetics, environmental samples, biological fluids). Molecular formula: C24H17D10NO2, molecular weight: 371.54 g/mol. Certified isotopic purity: ≥97 atom % D; HPLC purity: ≥98.0%. It is available as a solid powder and stored at -20°C. The compound is used in LC-MS/MS workflows for human biomonitoring, environmental fate studies, and quality control of sunscreen formulations. Not for human use.
|
| Exact Mass |
371.267
|
|---|---|
| CAS # |
2714435-95-5
|
| PubChem CID |
169444986
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
0
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
27
|
| Complexity |
510
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=C(C#N)C(=O)OCC(CC)CCCC)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
|
| InChi Key |
FMJSMJQBSVNSBF-UNUHCXEZSA-N
|
| InChi Code |
InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3/i6D,7D,8D,9D,10D,11D,13D,14D,15D,16D
|
| Chemical Name |
2-ethylhexyl 2-cyano-3,3-bis(2,3,4,5,6-pentadeuteriophenyl)prop-2-enoate
|
| 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 |
| 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) |
Typically soluble in DMSO (e.g. 10 mM)
|
|---|---|
| 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.) |
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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
