| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
hSMG-1 0.11 nM (IC50) mTOR 50 nM (IC50) PI3Kγ 60 nM (IC50) PI3Kα 92 nM (IC50) GSKα 260 (IC50) GSKβ 330 (IC50) CDK2 7.1 μM (IC50) CDK1 32 μM (IC50)
hSMG-1 inhibitor 11j selectively targets hSMG-1 with an IC50 of 0.11 nM. It exhibits >455-fold selectivity for hSMG-1 over mTOR (IC50 = 50 nM), PI3Kα/γ (IC50 = 92/60 nM), and CDK1/CDK2 (IC50 = 32/7.1 μM). Additional targets include GSK-3α (IC50 = 260 nM) and GSK-3β (IC50 = 330 nM). |
|---|---|
| ln Vitro |
In MDA 361 cells, hSMG-1 inhibitor 11j (0.3-3 μM; 6 h) dramatically lowers UPF1 phosphorylation at 0.3 μM and completely removes it at 1 μM[1]. With an IC50 of 75 nM, hSMG-1 inhibitor 11j suppresses MDA468 cell proliferation[1].
In MDA361 cells, hSMG-1 inhibitor 11j significantly reduces UPF1 phosphorylation at 0.3 μM and eliminates it at 1 μM (6-hour treatment), demonstrating target engagement in cells. It inhibits MDA468 cell proliferation with an IC50 of 75 nM. These cellular activities confirm the compound's ability to modulate NMD pathway activity. |
| ln Vivo |
In vivo activity data for hSMG-1 inhibitor 11j are limited in the available literature. As a potent and selective tool compound for studying NMD, it is expected to have applications in tumor xenograft models to evaluate the therapeutic potential of hSMG-1 inhibition in cancer. Detailed in vivo efficacy studies are not extensively reported.
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| Enzyme Assay |
Non-cell-based enzyme assays for hSMG-1 inhibitor 11j typically employ purified recombinant hSMG-1 kinase in in vitro kinase activity assays. The compound is incubated with the enzyme, substrate (e.g., UPF1 peptide), and ATP at varying concentrations. Kinase activity is measured by quantifying phosphorylation of the substrate using techniques such as radioactive ATP incorporation, fluorescence polarization, or ELISA-based detection. IC50 values are determined by plotting percent inhibition against compound concentration.
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| Cell Assay |
Cellular assays for hSMG-1 inhibitor 11j are performed in cancer cell lines such as MDA361 and MDA468. Cells are cultured in appropriate medium and treated with the compound at concentrations ranging from 0.3-3 μM for 6 hours. UPF1 phosphorylation is assessed by Western blotting using phospho-specific antibodies to confirm target inhibition. Cell proliferation is measured using standard viability assays (e.g., MTT, CellTiter-Glo) to determine the IC50 for growth inhibition.
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| Animal Protocol |
In vivo animal models for hSMG-1 inhibitor 11j would typically involve xenograft studies in immunodeficient mice bearing human tumor cell lines. The compound is administered via oral or intraperitoneal routes at various doses. Tumor growth inhibition is monitored over time, along with assessment of pharmacodynamic markers such as UPF1 phosphorylation in tumor tissues. Detailed protocols are not extensively reported in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of hSMG-1 inhibitor 11j include a molecular weight of 566.07 g/mol and molecular formula C27H28ClN7O3S. The compound has a purity of ≥98% and is slightly soluble in DMSO (0.1-1 mg/ml). Storage conditions: -20°C. Detailed PK parameters such as half-life, bioavailability, and volume of distribution are not extensively reported in the available literature.
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| Toxicity/Toxicokinetics |
Toxicological data for hSMG-1 inhibitor 11j are limited. The compound is a research chemical for laboratory use only, with purity ≥98%. No specific toxicity data such as LD50 values are reported. Standard preclinical toxicity assessments would be required for therapeutic development. The compound should be handled with appropriate laboratory safety precautions.
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| References | |
| Additional Infomation |
hSMG-1 inhibitor 11j has the formal name 2-chloro-N,N-diethyl-5-((4-(2-(4-(3-methylureido)phenyl)pyridin-4-yl)pyrimidin-2-yl)amino)benzenesulfonamide. It is a pyrimidine derivative with CAS number 1402452-15-6. The compound is used for cancer research, specifically to study nonsense-mediated mRNA decay and its role in tumor biology. It is available as a solid with purity 99.69%.
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| Molecular Formula |
C27H28CLN7O3S
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|---|---|
| Molecular Weight |
566.07
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| Exact Mass |
565.166
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| CAS # |
1402452-15-6
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| PubChem CID |
71458575
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| Appearance |
White to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.640
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| LogP |
4.38
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
39
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| Complexity |
879
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
RZFJBSIAXYEPBX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
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| Chemical Name |
1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : 80 mg/mL (141.33 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6 mg/mL (10.60 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 60.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7666 mL | 8.8328 mL | 17.6657 mL | |
| 5 mM | 0.3533 mL | 1.7666 mL | 3.5331 mL | |
| 10 mM | 0.1767 mL | 0.8833 mL | 1.7666 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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