| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
5.4 μM and 3.52 μM for hTYR and AbTYR[1]
hTYR/AbTYR-IN-1 targets human tyrosinase (hTYR) and AbTYR, a tyrosinase from another species. Tyrosinase is the key enzyme in melanin biosynthesis. By inhibiting both hTYR and AbTYR, the compound reduces melanin production. The dual inhibition profile makes it a valuable tool for studying tyrosinase biology and developing skin-lightening agents. |
|---|---|
| ln Vitro |
hTYR/AbTYR-IN-1 demonstrates potent in vitro inhibition of human tyrosinase (hTYR) with an IC50 of 5.4 µM and AbTYR with an IC50 of 3.52 µM. The compound is a dual inhibitor targeting both enzymes. These in vitro findings confirm the compound's potent tyrosinase inhibitory activity.
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| ln Vivo |
In vivo activity data for hTYR/AbTYR-IN-1 are not extensively documented. Its inhibition of tyrosinase suggests potential in vivo efficacy for skin lightening. The compound can be used in research on human hyperpigmentation and melanoma. Further in vivo studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
The in vitro enzyme assay for hTYR/AbTYR-IN-1 involves measuring its inhibition of human tyrosinase (hTYR) and AbTYR enzymatic activities. Recombinant human tyrosinase and AbTYR are expressed and purified. The assay typically uses L-DOPA as a substrate, and the formation of dopachrome is monitored spectrophotometrically at 475 nm. hTYR/AbTYR-IN-1 is incubated with the enzyme and substrate at various concentrations. IC50 values are determined by fitting the inhibition data to a dose-response curve.
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| Cell Assay |
In vitro cellular assays for hTYR/AbTYR-IN-1 typically use B16 melanoma cells or human melanocytes to assess its effects on melanogenesis. Cells are treated with the compound at various concentrations. Melanin content is measured spectrophotometrically. Tyrosinase activity is assessed by measuring the oxidation of L-DOPA in cell lysates. The compound's ability to reduce melanin production is quantified.
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| Animal Protocol |
In vivo animal experiments for hTYR/AbTYR-IN-1 are not extensively documented. As a tyrosinase inhibitor, standard in vivo studies would involve animal models of hyperpigmentation. The compound would be administered via topical or oral routes. Melanin content in skin and histopathological analysis would be assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of hTYR/AbTYR-IN-1 are not extensively documented. As a small molecule with a molecular weight of 312.36, the compound is expected to have reasonable bioavailability. Its chemical structure may influence its absorption, distribution, metabolism, and excretion. Further pharmacokinetic studies are necessary to fully characterize its PK profile.
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| Toxicity/Toxicokinetics |
Toxicological data for hTYR/AbTYR-IN-1 are not extensively available. As a research compound, it has not undergone extensive toxicological evaluation. Standard cytotoxicity assays in cell lines may have been performed to assess safety margins. Further toxicological studies would be required for clinical development.
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| References | |
| Additional Infomation |
hTYR/AbTYR-IN-1 (Compound 7) is a dual inhibitor of human tyrosinase (hTYR) and AbTYR with IC50 values of 5.4 µM and 3.52 µM, respectively. It is used in research on hyperpigmentation and melanoma. The compound has a molecular weight of 312.36. No clinical trials or regulatory approvals have been reported.
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| Molecular Formula |
C18H20N2O3
|
|---|---|
| Molecular Weight |
312.363004684448
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| Exact Mass |
312.147
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| CAS # |
1625821-37-5
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| PubChem CID |
78777376
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| Appearance |
Off-white to light brown solid powder
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| LogP |
1.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
23
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| Complexity |
388
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)O
|
| InChi Key |
MUYCIIDDRAFFHB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H20N2O3/c1-23-17-5-3-2-4-16(17)18(22)20-12-10-19(11-13-20)14-6-8-15(21)9-7-14/h2-9,21H,10-13H2,1H3
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| Chemical Name |
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
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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 |
| 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: 125 mg/mL (400.18 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 | 3.2014 mL | 16.0072 mL | 32.0143 mL | |
| 5 mM | 0.6403 mL | 3.2014 mL | 6.4029 mL | |
| 10 mM | 0.3201 mL | 1.6007 mL | 3.2014 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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