Physicochemical Properties
| Molecular Formula | C22H17F3N4O3 |
| Molecular Weight | 442.39 |
| Appearance | Typically exists as solids at room temperature |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| Targets | MK3 >100 nM (IC50) FGFR4 >1000 nM (IC50) TTK >1000 nM (IC50) p70S6Kb >1000 nM (IC50) MK5 >100 nM (IC50) p38 >1000 nM (IC50) |
| ln Vitro | MK2-IN-6 (2.3 nM, 70 min) has highly selective and irreversible inhibition of MK2, similar to PF-3644022 [1]. MK2-IN-6 (1-10 μM, 1.5 or 6 hours) can profoundly inhibit the transcription and production of cytokines in macrophages, targeting the classic downstream genes of MK2 [1]. |
| ln Vivo | MK2-IN-6 (10 mg/kg, intraperitoneal injection, twice daily for 12 days) significantly inhibits tumor growth in MC38 tumor model mice [1]. Pharmacokinetic parameters of MK2-IN-6 in mice[1] Pharmacokinetic analysis[1] ip. (10 mg/kg) T1/2 (h) Tmax (h) Cmax (ng/mL) AUClast (h·ng/mL) AUCinf_obc (h·ng/mL) MRTinf_obs (h) Mean ± SD 0.38±0.034 0.05±0.00 125.87±46.0 44.49±21.4 45.19±21.3 1.64±2.08 |
| Cell Assay |
Western Blot Analysis[1] Cell Types: Human monocytic THP-1 cell-line-derived macrophage and the mouse RAW264.7 macrophage cell line Concentration: 1-10 μM Incubation Duration: 1.5 h Experimental Results: Significantly inhibited the phosphorylation of Hsp27 induced by LPS (100 ng/mL, 30 min) in macrophages, much more potent than that of PF-3644022 and CC-99677 . Real Time qPCR[1] Cell Types: Human monocytic THP-1 cell-line-derived macrophage and the mouse RAW264.7 macrophage cell line Concentration: 1-10 μM Incubation Duration: 6 h Experimental Results: Effectively impeded the transcription and production of TNF-α, IL-6, and IL-1 increased by LPS in macrophages. |
| Animal Protocol |
Animal/Disease Models: MC38 tumor model of mice[1] Doses: 10 mg/kg Route of Administration: i.p., twice daily for 12 days Experimental Results: The rates of tumor growth inhibition rates at dosages of 25 and 50 mg/kg MK2-IN-6 were 47.5% and 64.0%, respectively in MC38 tumor model of mice. |
| References |
[1]. Wang D, et al. Remodeling tumor-associated macrophage for anti-cancer effects by rational design of irreversible inhibition of mitogen-activated protein kinase-activated protein kinase 2[J]. MedComm (2020). 2024 Jul 10;5(7):e634. |
Solubility Data
| 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 |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2604 mL | 11.3022 mL | 22.6045 mL | |
| 5 mM | 0.4521 mL | 2.2604 mL | 4.5209 mL | |
| 10 mM | 0.2260 mL | 1.1302 mL | 2.2604 mL |