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MS049 (MS 049; MS-049) is a potent and selective inhibitor of protein arginine methyltransferases-PRMT4 and PRMT6 with potential antineoplastic activity. It inhibits PRMT4/6 with IC50s of 34 nM and 43 nM, respectively.
| 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].
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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. |
| References |
| Molecular Formula |
C₁₅H₂₄N₂O
|
|---|---|
| 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
|
| InChi Key |
HBOJWAYLSJLULG-UHFFFAOYSA-N
|
| 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) |
|---|---|
| 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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