![1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-[3-(trifluoromethyl)phenyl]-](/upload/0290/0424abf0-dcf6-4085-b49e-d712c09b8877.png)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| Targets |
The compound targets ALKBH5 (Alpha-ketoglutarate-dependent dioxygenase alkB homolog 5), a demethylase that removes N6-methyladenosine (m6A) modifications from RNA. Inhibition of ALKBH5 is a strategy for modulating RNA methylation and gene expression.
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|---|---|
| ln Vitro |
In vitro, this compound acts as an inhibitor of ALKBH5. Its activity is measured by its ability to inhibit the demethylase activity of the enzyme.
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| ln Vivo |
Cellular assays would be used to assess its effect on m6A levels in RNA and downstream gene expression. Its potential as a research tool for studying RNA methylation is a key area of interest.
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| Enzyme Assay |
In vitro enzyme assays are performed using purified ALKBH5 enzyme. The compound is incubated with the enzyme and a methylated RNA substrate. The degree of demethylation is measured to determine the IC50 for inhibition.
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| Cell Assay |
Cells are treated with the compound, and the levels of m6A in RNA are measured by mass spectrometry or other methods. The effect on gene expression and cell phenotype is also assessed.
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| Animal Protocol |
In vivo studies would be needed to evaluate the pharmacological effects of this ALKBH5 inhibitor in animal models. These could include models of cancer or other diseases where RNA methylation plays a role.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties would be determined in preclinical species to understand the compound's systemic exposure, which is essential for in vivo studies.
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| Toxicity/Toxicokinetics |
Toxicology studies would be required to assess the safety profile of this compound, particularly if it is being developed as a therapeutic agent.
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| Additional Infomation |
This compound is a research tool for studying the role of ALKBH5 and RNA methylation in various biological processes and diseases. It is also known as 5-hydroxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid.
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| Molecular Formula |
C11H7F3N2O3
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|---|---|
| Molecular Weight |
272.180093050003
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| Exact Mass |
272.04
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| CAS # |
1505579-77-0
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| PubChem CID |
83557584
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| Appearance |
White to off-white solid powder
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| LogP |
2.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
433
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC(=C1)N2C(=O)C=C(N2)C(=O)O)C(F)(F)F
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| InChi Key |
QMZPKNHOZXIYQC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H7F3N2O3/c12-11(13,14)6-2-1-3-7(4-6)16-9(17)5-8(15-16)10(18)19/h1-5,15H,(H,18,19)
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| Chemical Name |
3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
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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 |
| 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 | 3.6740 mL | 18.3702 mL | 36.7404 mL | |
| 5 mM | 0.7348 mL | 3.6740 mL | 7.3481 mL | |
| 10 mM | 0.3674 mL | 1.8370 mL | 3.6740 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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