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| Targets |
MARK (microtubule affinity regulating kinase). MARK-IN-4 is a potent MARK inhibitor with an IC50 of 1 nM. MARK phosphorylates microtubule-associated proteins (MAPs) such as tau, regulating microtubule dynamics. Inhibition of MARK has been proposed as a strategy to prevent tau hyperphosphorylation and neurofibrillary tangle formation in Alzheimer's disease.
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| ln Vitro |
MARK-IN-4 demonstrates potent inhibition of MARK with an IC50 of 1 nM in enzymatic assays. This high potency makes it one of the most potent MARK inhibitors described. The compound's activity suggests it could effectively block MARK-mediated tau phosphorylation. Detailed selectivity profiling against other kinases has not been disclosed in publicly available literature.
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| ln Vivo |
In vivo activity of MARK-IN-4 has not been extensively characterized in published literature. The compound is primarily used as an in vitro research tool for studying MARK function. In vivo studies in Alzheimer's disease models would be needed to evaluate its therapeutic potential. Currently, no in vivo efficacy data have been reported in peer-reviewed literature.
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| Enzyme Assay |
In vitro enzyme assays for MARK inhibition are performed using recombinant MARK kinase and a suitable peptide substrate (e.g., tau-derived peptide) in the presence of ATP. MARK-IN-4 is incubated at varying concentrations (typically pM to μM range) with the enzyme and substrate. Phosphorylation is detected by radioactivity (³³P-ATP) or by fluorescence-based methods (e.g., ADP-Glo, Transcreener). IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cells (e.g., neuronal cell lines or primary neurons) are cultured and treated with MARK-IN-4 at concentrations ranging from 1 nM to 10 μM for 24–72 hours. MARK inhibition is assessed by measuring tau phosphorylation at MARK-specific sites by Western blot. Microtubule dynamics are evaluated by tubulin staining and imaging. Cell viability and neuronal health are assessed by standard assays.
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| Animal Protocol |
In vivo animal studies for MARK-IN-4 have not been reported in publicly available literature. The compound is primarily used for in vitro research. Future studies in transgenic mouse models of Alzheimer's disease (e.g., tauopathy models) would be needed to evaluate in vivo efficacy in preventing neurofibrillary tangle pathology.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for MARK-IN-4 have not been published. The compound has a molecular weight of 421.52 and formula C21H23N7OS. Solubility information is limited. In vivo PK parameters such as half-life, bioavailability, brain penetration, and tissue distribution have not been characterized. For in vivo use, formulation would need to be developed, with particular attention to blood-brain barrier penetration.
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| Toxicity/Toxicokinetics |
Toxicology data for MARK-IN-4 have not been published. The compound is for research use only and not approved for human therapeutic applications. No systematic toxicological evaluation has been performed. Standard safety precautions for handling kinase inhibitors should be observed.
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| References | |
| Additional Infomation |
MARK-IN-4 (CAS: 1990492-86-8, molecular formula C21H23N7OS, molecular weight 421.52) is a potent MARK inhibitor with IC50 of 1 nM. It has potential for Alzheimer's disease research. It is not in clinical trials and has no regulatory approval. The compound is supplied as a research-grade inhibitor for laboratory use only.
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| Molecular Formula |
C21H23N7OS
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|---|---|
| Molecular Weight |
421.52
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| Exact Mass |
421.168
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| CAS # |
1990492-86-8
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| PubChem CID |
68776463
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
1.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
624
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| Defined Atom Stereocenter Count |
2
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| SMILES |
N[C@@H]1CCCC[C@H]1NC(C1SC=C(C=1)C1C=NN2C=C(C3C=NN(C)C=3)C=NC=12)=O
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| InChi Key |
LYADGAGFYYXXIO-QZTJIDSGSA-N
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| InChi Code |
InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18-/m1/s1
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| Chemical Name |
N-[(1R,2R)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
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 | 2.3724 mL | 11.8618 mL | 23.7237 mL | |
| 5 mM | 0.4745 mL | 2.3724 mL | 4.7447 mL | |
| 10 mM | 0.2372 mL | 1.1862 mL | 2.3724 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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