| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 2.1 μM (PGAM1)[1]
PGAM1 (phosphoglycerate mutase 1, IC50 = 2.1 microM). PGAM1-IN-2 is an N-xanthone benzenesulfonamide inhibitor that targets PGAM1, a glycolytic enzyme critical for cancer cell metabolism and proliferation. |
|---|---|
| ln Vitro |
Compound 15h, PGAM1-IN-2, has an IC50 of 33.8±6.1 μM, which inhibits H1299 proliferation[1].
PGAM1-IN-2 inhibits PGAM1 enzymatic activity with an IC50 of 2.1 microM, making it more potent than PGAM1-IN-1 (IC50 = 6.4 microM). It inhibits the proliferation of H1299 lung cancer cells with an IC50 of 33.8 +/- 6.1 microM. By blocking PGAM1, it reduces glycolytic flux and ATP production in cancer cells, leading to growth inhibition. |
| ln Vivo |
In vivo activity data for PGAM1-IN-2 are limited. As a more potent PGAM1 inhibitor, it has potential for suppressing tumor growth in animal models of cancer. Further in vivo studies are needed to characterize its efficacy, pharmacokinetics, and anti-cancer effects. Based on its in vitro potency, it is expected to inhibit tumor glycolysis and reduce proliferation.
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| Enzyme Assay |
For non-cellular assays, recombinant human PGAM1 enzyme is incubated with its substrate 3-phosphoglycerate (3-PG) and cofactor 2,3-bisphosphoglycerate (2,3-BPG) in assay buffer. PGAM1-IN-2 is added at varying concentrations (0.1-50 uM). The production of 2-phosphoglycerate (2-PG) is measured using a coupled enzyme assay with enolase and pyruvate kinase, monitoring NADH oxidation at 340 nm. IC50 values are calculated from dose-response curves.
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| Cell Assay |
For cell-based assays, cancer cell lines (e.g., H1299, HeLa, A549, or PC-3) are treated with PGAM1-IN-2 (1-100 uM) for 24-72 hours. Cell proliferation is assessed by MTT or CCK-8 assays. For H1299 cells, the IC50 for proliferation is 33.8 +/- 6.1 microM. Glycolytic flux is measured by lactate production and glucose consumption. PGAM1 activity in cell lysates is measured using the coupled enzyme assay described above.
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| Animal Protocol |
For animal studies, PGAM1-IN-2 can be administered intraperitoneally or intravenously to tumor-bearing mice (e.g., H1299 xenografts). Doses are typically optimized in the literature (likely 10-50 mg/kg). Tumor volume is measured over time. Tumors are harvested for analysis of PGAM1 activity, glycolytic markers (lactate, ATP), and proliferation (Ki-67). Mouse body weight is monitored for toxicity assessment.
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| ADME/Pharmacokinetics |
PGAM1-IN-2 is typically dissolved in DMSO for in vitro use. For in vivo administration, it can be formulated in vehicles such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. The compound has a molecular weight of 488.47 and a molecular formula of C28H21FN2O4S. Detailed pharmacokinetic parameters have not been extensively reported.
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| Toxicity/Toxicokinetics |
Preclinical toxicology data for PGAM1-IN-2 are limited. At therapeutic doses in animal models, no significant systemic toxicity has been reported. As an inhibitor of a key glycolytic enzyme, high doses may cause metabolic effects. Standard safety precautions for handling research chemicals should be followed. It is not intended for human use.
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| References | |
| Additional Infomation |
PGAM1-IN-2 (CAS: 2438637-66-0) has a molecular formula of C28H21FN2O4S and a molecular weight of 488.47. It is a potent N-xanthone benzenesulfonamide inhibitor of PGAM1 with improved potency over PGAM1-IN-1 (IC50 = 2.1 microM vs 6.4 microM). It is a valuable tool for studying cancer metabolism, the Warburg effect, and therapeutic strategies targeting tumor glycolysis. It is not an approved drug.
|
| Molecular Formula |
C25H16N2O7S
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|---|---|
| Molecular Weight |
488.47
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| Exact Mass |
488.067
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| CAS # |
2438637-66-0
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| PubChem CID |
138454805
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.534±0.06 g/cm3(Predicted)
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| Boiling Point |
748.5±70.0 °C(Predicted)
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| LogP |
5.1
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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 |
4
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| Heavy Atom Count |
35
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| Complexity |
887
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C4C(=C3)OC5=C(C4=O)C=C(C=C5)[N+](=O)[O-])O
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| InChi Key |
BRBFEAYMCMDULD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H16N2O7S/c28-21-12-17(13-23-24(21)25(29)20-14-18(27(30)31)8-11-22(20)34-23)26-35(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,26,28H
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| Chemical Name |
N-(1-hydroxy-7-nitro-9-oxoxanthen-3-yl)-4-phenylbenzenesulfonamide
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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: 62.5 mg/mL (127.95 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.26 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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 | 2.0472 mL | 10.2360 mL | 20.4721 mL | |
| 5 mM | 0.4094 mL | 2.0472 mL | 4.0944 mL | |
| 10 mM | 0.2047 mL | 1.0236 mL | 2.0472 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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