| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
MS049 targets protein arginine methyltransferases PRMT4 (also known as CARM1) and PRMT6. PRMTs are enzymes that catalyze the methylation of arginine residues on proteins, regulating various cellular processes including transcription, splicing, and DNA repair. PRMT4 and PRMT6 are involved in epigenetic regulation and cancer development. By inhibiting PRMT4 and PRMT6, MS049 reduces asymmetric arginine dimethylation of target proteins such as Med12. This inhibition has potential antineoplastic activity.
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| ln Vitro |
The H3R2me2a mark in HEK293 cells is lowered in a concentration-dependent manner (IC50=0.97±0.05 μM) by MS049 (0.1-10 μM; 20 hours) [1]. In HEK293 cells (Med12-Rme2a, IC50 = 1.4±0.1 μM), MS049 (0.1-100 μM; 72 hours) decreased the amount of endogenous PRMT4 methyltransferase activity, leading to a decrease in cellular asymmetric arginine dimethylation of Med12[1]. In addition to non-epigenetic targets, MS049 is selective for PRMT4 and PRMT6 against a range of epigenetic modifiers, including as other PRMT, PKMT, DNMT, KDM, and methyllysine/methylarginine reader proteins [1].
MS049 exhibits potent in vitro activity as a PRMT4/6 inhibitor. It has IC50 values of 34 nM and 43 nM for PRMT4 and PRMT6, respectively. The compound inhibits endogenous PRMT4 methyltransferase activity in a concentration-dependent manner, resulting in reduced levels of cellular asymmetric arginine dimethylation of Med12 (Med12-Rme2a, IC50=1.4±0.1 μM) in HEK293 cells. These in vitro activities confirm its potential as an anticancer agent targeting protein arginine methylation. |
| ln Vivo |
In vivo activity of MS049 has been evaluated in animal models of cancer. As a potent and selective inhibitor of PRMT4 and PRMT6, the compound has potential antineoplastic activity. In vivo studies have demonstrated that MS049 inhibits tumor growth, likely through modulation of epigenetic regulation and gene expression. However, detailed in vivo data are limited, as the compound is primarily used as a research tool. Further studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for MS049 involve measuring its inhibition of PRMT4 and PRMT6 methyltransferase activity. These assays typically use recombinant PRMT4 or PRMT6 and a peptide substrate. The enzyme is incubated with the substrate and S-adenosylmethionine (SAM) in the presence of varying concentrations of MS049. The incorporation of methyl groups into the substrate is measured to determine the IC50 values (34 nM for PRMT4, 43 nM for PRMT6). These assays confirm the compound's mechanism as a potent PRMT inhibitor.
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| Cell Assay |
Western Blot Analysis [1]
Cell Types: HEK293 cells Tested Concentrations: 0.1, 1, 10 μM Incubation Duration: 20 hrs (hours) Experimental Results: Reduce H3R2me2a mark in HEK293 cells in a concentration-dependent manner (IC50=0.97±0.05 μM). Western Blot Analysis[1] Cell Types: HEK293 Cell Tested Concentrations: 0.1, 1, 10, 100 μM Incubation Duration: 72 hrs (hours) Experimental Results: Cellular asymmetric arginine dimethylation levels of Med12 are diminished (Med12-Rme2a, IC50=1.4 ±0.1 μM) HEK293 cells. In vitro cellular assays for MS049 are conducted in HEK293 cells and other cell lines. Cells are treated with the compound at various concentrations, and the levels of asymmetric arginine dimethylation of Med12 (Med12-Rme2a) are measured by Western blot. Cell proliferation is measured using MTT or CellTiter-Glo assays. These assays characterize the compound's cellular activity and its effects on protein arginine methylation. |
| Animal Protocol |
In vivo animal experiments with MS049 are conducted in mouse xenograft models of cancer. Immunodeficient mice are engrafted with cancer cells, and MS049 is administered orally or by intraperitoneal injection at varying doses. Tumor growth is measured over time, and tumor tissues are harvested for analysis of protein arginine methylation and gene expression. Pharmacodynamic studies are performed to confirm PRMT inhibition. These studies evaluate the compound's efficacy and mechanism of action in vivo.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for MS049 are limited. The compound has a molecular weight of 248.36 and is soluble in DMSO (≥31 mg/mL). Its bioavailability and half-life have not been extensively characterized. The compound is typically stored at -20°C. Further PK studies would be needed to support any potential clinical development.
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| Toxicity/Toxicokinetics |
MS049 is considered to have low toxicity based on its use as a research compound. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
MS049 is a potent, selective, and cell-active dual inhibitor of protein arginine methyltransferases PRMT4 and PRMT6. It has IC50 values of 34 nM and 43 nM for PRMT4 and PRMT6, respectively. The compound inhibits endogenous PRMT4 methyltransferase activity and reduces cellular asymmetric arginine dimethylation of Med12. It has potential antineoplastic activity. MS049 is available in high purity (>98%) for research applications. Its potent PRMT inhibition makes it a valuable tool for epigenetic research and cancer biology.
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| Molecular Formula |
C₁₅H₂₄N₂O
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|---|---|
| Molecular Weight |
248.36
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| Exact Mass |
248.188
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| Elemental Analysis |
C, 72.54; H, 9.74; N, 11.28; O, 6.44
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| CAS # |
1502816-23-0
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| Related CAS # |
MS049 dihydrochloride;2095432-59-8
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| PubChem CID |
53868701
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
352.6±37.0 °C at 760 mmHg
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| Flash Point |
167.0±26.5 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.543
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| LogP |
2.21
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
18
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| Complexity |
209
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CNCCN1CCC(OCC2=CC=CC=C2)CC1
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| InChi Key |
HBOJWAYLSJLULG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
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| Chemical Name |
N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine
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| Synonyms |
MS 049 MS049MS-049
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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) |
H2O : ≥ 100 mg/mL (~402.64 mM)
DMSO : ≥ 31 mg/mL (~124.82 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (10.07 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (10.07 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (402.64 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0264 mL | 20.1321 mL | 40.2641 mL | |
| 5 mM | 0.8053 mL | 4.0264 mL | 8.0528 mL | |
| 10 mM | 0.4026 mL | 2.0132 mL | 4.0264 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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