| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
Protein arginine deiminase 4 (PAD4). GSK121 is a selective inhibitor of PAD4. PAD4 catalyzes the citrullination of arginine residues in proteins, a post-translational modification implicated in gene regulation and various inflammatory and autoimmune diseases.
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| ln Vitro |
GSK121 is a selective PAD4 inhibitor. Specific IC50 values for PAD4 inhibition are not detailed in the available literature, but GSK121 is described as the initial compound from a screen for PAD4 inhibitors. It was optimized to produce the more potent inhibitors GSK484 and GSK199.
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| ln Vivo |
Specific in vivo activity data for GSK121 are not detailed in the available literature. As a PAD4 inhibitor, it would be expected to have effects on inflammatory and autoimmune processes, as PAD4 has been implicated in the pathogenesis of autoimmune, cardiovascular, and oncological diseases.
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| Enzyme Assay |
In vitro enzyme inhibition assays for GSK121 involve measuring the activity of PAD4 in the presence of varying concentrations of the compound. The enzyme is incubated with a peptide substrate containing arginine residues, and the conversion of arginine to citrulline is quantified. The IC50 value is determined from the dose-response curve.
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| Cell Assay |
In vitro cell-based assays for GSK121 assess its effects on protein citrullination in cells. Cells are treated with GSK121, and the levels of citrullinated proteins are measured using Western blotting with anti-citrulline antibodies or other detection methods. The compound's effects on cellular processes such as inflammation or gene expression can also be evaluated.
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| Animal Protocol |
Specific in vivo animal model protocols for GSK121 are not described in the available literature. To evaluate its in vivo activity, GSK121 could be administered to animal models of autoimmune or inflammatory diseases where PAD4 plays a role. Endpoints would include measurement of citrullination levels and disease severity.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for GSK121 are not reported in the available literature. As a research compound, its absorption, distribution, metabolism, and excretion (ADME) properties have not been extensively characterized. The compound is available as a trifluoroacetate salt.
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| Toxicity/Toxicokinetics |
Specific toxicological data for GSK121 are not available. As a research compound, its safety profile has not been comprehensively characterized. Toxicity studies would be required to determine its safety margin and potential off-target effects.
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| References | |
| Additional Infomation |
GSK121 is a research tool for studying PAD4 function and the role of protein citrullination in disease. PAD4 has been implicated in the pathogenesis of autoimmune, cardiovascular, and oncological diseases. GSK121 was optimized to produce the more potent inhibitors GSK484 and GSK199. It is not an approved therapeutic agent.
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| Molecular Formula |
C25H26F3N5O3
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|---|---|
| Molecular Weight |
501.51
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| Exact Mass |
501.198
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| CAS # |
1652591-80-4
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| PubChem CID |
86340181
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| Appearance |
Light brown to brown solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
36
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| Complexity |
698
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)N)N=C1C4=CC5=CC=CC=C5N4C.C(=O)(C(F)(F)F)O
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| InChi Key |
CUCLWQZRCAQPJM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25N5O.C2HF3O2/c1-26-19-8-4-3-6-15(19)13-21(26)22-25-18-12-16(9-10-20(18)27(22)2)23(29)28-11-5-7-17(24)14-28;3-2(4,5)1(6)7/h3-4,6,8-10,12-13,17H,5,7,11,14,24H2,1-2H3;(H,6,7)
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| Chemical Name |
(3-aminopiperidin-1-yl)-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;2,2,2-trifluoroacetic acid
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| Synonyms |
GSK 121 GSK-121 GSK121
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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) |
DMSO : ~125 mg/mL (~249.25 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.99 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 (25.0 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 2: ≥ 2.5 mg/mL (4.99 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 (25.0 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 | 1.9940 mL | 9.9699 mL | 19.9398 mL | |
| 5 mM | 0.3988 mL | 1.9940 mL | 3.9880 mL | |
| 10 mM | 0.1994 mL | 0.9970 mL | 1.9940 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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