| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
IC50: 144 μM (METTL1-WDR4)[1].
METTL1-WDR4-IN-1 targets the METTL1-WDR4 methyltransferase complex, which is responsible for the formation of N7-methylguanosine (m7G) in RNA. METTL1 is the catalytic subunit of the complex, while WDR4 is a regulatory subunit. The compound acts as a selective competitive inhibitor of this complex, blocking its methyltransferase activity. By inhibiting METTL1-WDR4, the compound modulates m7G RNA methylation, which plays a role in various biological processes including translation, RNA stability, and gene expression. |
|---|---|
| ln Vitro |
METTL1-WDR4-IN-1 shows in vitro inhibition of the METTL1-WDR4 methyltransferase complex with an IC50 of 144 μM. This activity has been validated in biochemical assays measuring the methyltransferase activity of the complex. The compound acts as a selective competitive inhibitor, meaning it competes with the substrate for binding to the active site of the enzyme.
|
| ln Vivo |
In vivo activity of METTL1-WDR4-IN-1 has not been extensively reported in the available literature. As an inhibitor of RNA methylation, the compound may have potential applications in studying the role of m7G methylation in various biological processes and diseases. However, detailed in vivo efficacy data are limited, and the compound is primarily used as a research tool for in vitro studies.
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| Enzyme Assay |
Non-cell-based enzyme assays for METTL1-WDR4-IN-1 typically involve measuring the inhibition of METTL1-WDR4 methyltransferase activity using a radioactive or fluorescence-based assay. A standard protocol includes incubating purified METTL1-WDR4 complex with a substrate (such as a RNA oligonucleotide) and S-adenosylmethionine (SAM) as the methyl donor. METTL1-WDR4-IN-1 is added at various concentrations (0.1–1000 μM), and the incorporation of methyl groups into the substrate is measured. IC50 values are calculated from dose-response curves.
|
| Cell Assay |
Cellular assays for METTL1-WDR4-IN-1 are not typically performed as the compound has a relatively high IC50 (144 μM) and is primarily used as a biochemical tool. If conducted, a representative protocol would include culturing cells in appropriate medium, treating with METTL1-WDR4-IN-1 at high concentrations (50–500 μM) for 24–72 hours, and measuring global m7G RNA methylation levels by LC-MS/MS or dot blot using anti-m7G antibodies.
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| Animal Protocol |
In vivo animal studies with METTL1-WDR4-IN-1 have not been reported in the available literature. As a research compound with a relatively high IC50, it is primarily used as a biochemical tool for in vitro studies rather than for in vivo applications.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of METTL1-WDR4-IN-1 have not been extensively reported. The compound has a molecular weight of 241.27 g/mol and is soluble in DMSO at 55 mg/mL. In vivo formulation: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline (solubility: ≥ 2.75 mg/mL). The compound is stored at 4°C, protected from light.
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| Toxicity/Toxicokinetics |
As a research compound, METTL1-WDR4-IN-1 is not intended for human therapeutic use, and comprehensive toxicological data are limited. Standard safety precautions should be followed when handling the compound. The compound is stored at 4°C, protected from light.
|
| References | |
| Additional Infomation |
METTL1-WDR4-IN-1 (Compound 1) is a selective competitive inhibitor of the METTL1-WDR4 methyltransferase complex with an IC50 of 144 μM. The compound is used in epigenetics research to study the role of N7-methylguanosine (m7G) RNA methylation in gene expression and disease. METTL1-WDR4-IN-1 is referenced in the primary literature (ACS Bio Med Chem Au, 2023) for its inhibitory activity against the METTL1-WDR4 complex.
|
| Molecular Formula |
C8H11N5O2S
|
|---|---|
| Molecular Weight |
241.27
|
| Exact Mass |
237.032
|
| CAS # |
374705-10-9
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| Related CAS # |
METTL1-WDR4-IN-1 TFA
|
| PubChem CID |
135512095
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
-1.4
|
| Hydrogen Bond Donor Count |
5
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
16
|
| Complexity |
405
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=NC(=N)C2=C(N1CC(CO)O)NC(=S)N2
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| InChi Key |
RACJFXRVKVCWIR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H7N5O2S/c9-6-5-7(12-8(16)11-5)13(3-10-6)1-4(15)2-14/h2-3,9H,1H2,(H2,11,12,16)
|
| Chemical Name |
3-(6-imino-8-sulfanylidene-7,9-dihydropurin-3-yl)-2-oxopropanal
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
Typically soluble in DMSO (e.g. 10 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (11.40 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% 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 DMSO stock solution (27.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.75 mg/mL (11.40 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 DMSO stock solution (27.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 3: ≥ 2.75 mg/mL (11.40 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 DMSO stock solution (27.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1447 mL | 20.7237 mL | 41.4473 mL | |
| 5 mM | 0.8289 mL | 4.1447 mL | 8.2895 mL | |
| 10 mM | 0.4145 mL | 2.0724 mL | 4.1447 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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