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Drometrizole

Cat No.:V69044 Purity: ≥98%
Drometrizole is a cosmetic ingredient that works as a UV absorber.
Drometrizole
Drometrizole Chemical Structure CAS No.: 2440-22-4
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Drometrizole is a cosmetic ingredient that works as a UV absorber. No significant toxicity was observed with Drometrizole in acute oral, inhalation, or dermal toxicity studies.
Drometrizole (CAS#: 2440-22-4) is a benzotriazole-based compound that functions as an ultraviolet light absorber. It is a cosmetic ingredient used to provide photoprotection in sunscreens, moisturizers, and anti-aging products. The compound acts as a chemical sunscreen layer between the skin and sunlight, directly absorbing UV sunlight radiation. It functions effectively as a photostable UV filter, absorbing both UVA and UVB radiation, with dual absorption peaks at approximately 303 nm, highlighting its capability to provide broad-spectrum protection against harmful UV rays. The compound is also used as a plastic stabilizer to prevent discoloration and degradation caused by UV exposure. Drometrizole is an orally active UV absorber and can be used in cosmetic research. It has low acute toxicity, no teratogenicity, and no carcinogenicity. No significant toxicity has been observed in acute oral, inhalation, or dermal toxicity studies.
Biological Activity I Assay Protocols (From Reference)
Targets
No specific primary biological target has been identified for drometrizole, as it functions primarily as a UV filter and photostabilizer rather than a direct pharmacological agent. However, its mechanism of action involves the absorption of UV radiation and the dissipation of absorbed energy as heat, preventing UV-induced damage to skin cells and materials. By absorbing both UVA and UVB radiation, the compound protects against photoaging, DNA damage, and skin cancer. The compound is not intended to interact with specific biological receptors or enzymes, but rather to provide physical and chemical protection against UV radiation. Its use as a plastic stabilizer involves preventing photodegradation of polymers by absorbing UV radiation and preventing the formation of free radicals.
ln Vitro
In vitro, drometrizole provides broad-spectrum UV protection against UVA and short-wave UVB radiation, preventing photoaging and UV-induced skin damage. The compound exhibits thermal resistance up to approximately 300°C. It is used in sunscreens, moisturizers, and anti-aging products for topical UV protection. The compound is also used as a plastic stabilizer to prevent discoloration and degradation caused by UV exposure. In cosmetic formulations, it is incorporated into various products to provide photoprotection. Its photostability ensures that it remains effective over time and does not degrade upon UV exposure. In material science, it is used to enhance the UV stability of plastics, rubbers, and coatings.
ln Vivo
In vivo, drometrizole is incorporated into sunscreens, moisturizers, and anti-aging products for topical UV protection. It is an orally active UV absorber and can be used in cosmetic research. The compound has low acute toxicity, no teratogenicity, and no carcinogenicity. No significant toxicity has been observed in acute oral, inhalation, or dermal toxicity studies. When applied topically, the compound is primarily retained in the stratum corneum and does not penetrate deeply into the skin, providing localized photoprotection without systemic exposure.
Enzyme Assay
Cell-free assays for drometrizole involve measuring its UV absorption properties. The compound is dissolved in a suitable solvent, and the UV-Vis absorption spectrum is measured, with a maximum absorption at approximately 303 nm. Photostability is assessed by exposing the compound to UV irradiation and measuring the change in absorption over time. The compound's ability to absorb UV radiation and dissipate energy as heat can be studied using various spectroscopic techniques. Its thermal stability can be assessed by thermogravimetric analysis. These assays are used to evaluate the efficacy and stability of the compound as a UV filter in cosmetic and material applications.
Cell Assay
Cellular assays for drometrizole may evaluate its photoprotective effects in skin cell cultures. For example, keratinocytes or fibroblasts are treated with the compound and exposed to UV irradiation, and markers of UV-induced damage such as cyclobutane pyrimidine dimers, reactive oxygen species, and apoptosis are measured. The compound's ability to prevent UV-induced DNA damage and cell death can be assessed. These assays are used to evaluate the efficacy of the compound as a photoprotective agent in cosmetic formulations. However, the compound itself is not typically used as a test article in cellular assays beyond its photoprotective effects.
Animal Protocol
Animal studies for drometrizole have been conducted to assess its toxicity and safety. Acute oral, inhalation, and dermal toxicity studies have shown no significant toxicity. The compound has low acute toxicity, no teratogenicity, and no carcinogenicity. In these studies, animals are exposed to the compound via oral, inhalation, or dermal routes, and parameters such as mortality, body weight, clinical signs, and histopathology are assessed. The compound's safety profile supports its use as a cosmetic ingredient and UV stabilizer.
ADME/Pharmacokinetics
Pharmacokinetic data for drometrizole are limited. As a lipophilic UV absorber with an estimated LogP of approximately 4.5, it has low systemic absorption when applied topically and is primarily retained in the stratum corneum. When administered orally, it is absorbed and distributed systemically, but comprehensive pharmacokinetic studies have not been performed. The compound's low acute toxicity and lack of teratogenicity and carcinogenicity suggest that it has a favorable safety profile. For topical applications, systemic exposure is minimal due to the compound's limited skin penetration.
Toxicity/Toxicokinetics
Toxicity Summary
It is safe at the current usage and concentration. Ingredient, concentration, and usage information can be found at: https://cir-reports.cir-safety.org
Toxicological data for drometrizole indicate that no significant toxicity has been observed in acute oral, inhalation, or dermal toxicity studies. The compound has low acute toxicity, no teratogenicity, and no carcinogenicity. It is not classified as hazardous. The compound is considered safe for use as a cosmetic ingredient and UV stabilizer. However, as with all chemicals, appropriate safety precautions should be taken when handling the compound, including the use of personal protective equipment such as gloves and safety goggles.
References

[1]. Risk Assessment of Drometrizole, a Cosmetic Ingredient used as an Ultraviolet Light Absorber. Toxicol Res. 2019;35(2):119-129.

Additional Infomation
Drometrizole belongs to the triazole class of drugs.
4,4-Dimethylcyclohexanone is a research chemical and synthetic intermediate, not an approved drug. It has no clinical trial or marketing approval status as a therapeutic agent. The compound is widely used in cosmetics as a UV filter in sunscreens, moisturizers, and anti-aging products. It is also used as a UV stabilizer for plastics, rubbers, and coatings to prevent discoloration and degradation. The compound functions effectively as a photostable UV filter, absorbing both UVA and UVB radiation with dual absorption peaks at approximately 303 nm. It has low acute toxicity, no teratogenicity, and no carcinogenicity. No significant toxicity has been observed in acute oral, inhalation, or dermal toxicity studies. The compound is an orally active UV absorber and can be used in cosmetic research. It is supplied with a purity of ≥99.81% and should be stored in a cool, dry place.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C13H11N3O
Molecular Weight
225.25
Exact Mass
225.09
CAS #
2440-22-4
PubChem CID
17113
Appearance
White to off-white solid powder
Density
1.38
Boiling Point
276.1ºC at 760mmHg
Melting Point
125.5-129.5 °C(lit.)
Flash Point
133.9ºC
Vapour Pressure
4.81E-07mmHg at 25°C
Index of Refraction
1.765
LogP
2.434
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
17
Complexity
259
Defined Atom Stereocenter Count
0
SMILES
CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
InChi Key
MCPKSFINULVDNX-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
Chemical Name
2-(benzotriazol-2-yl)-4-methylphenol
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 Data
Solubility (In Vitro)
DMSO: 50 mg/mL (221.98 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.10 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension 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 4.4395 mL 22.1976 mL 44.3951 mL
5 mM 0.8879 mL 4.4395 mL 8.8790 mL
10 mM 0.4440 mL 2.2198 mL 4.4395 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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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