| 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 |
IC50: 6.4 μM (PGAM1)[1]
PGAM1 (phosphoglycerate mutase 1, IC50 = 6.4 microM). PGAM1-IN-1 is an inhibitor of PGAM1, a glycolytic enzyme that catalyzes the conversion of 3-phosphoglycerate to 2-phosphoglycerate in the glycolytic pathway. |
|---|---|
| ln Vitro |
Compound 9h, PGAM1-IN-1, has an IC50 of 14.1±1.9 μM[1], which inhibits the growth of H1299.
PGAM1-IN-1 inhibits PGAM1 enzymatic activity with an IC50 of 6.4 microM. By blocking PGAM1, it reduces glycolytic flux and ATP production in cancer cells, which rely on aerobic glycolysis (Warburg effect) for rapid proliferation. This inhibition leads to reduced cell proliferation and increased sensitivity to other metabolic stressors. |
| ln Vivo |
In vivo, PGAM1-IN-1 has been used to study the role of PGAM1 in tumor growth. Anti-sense treatment against PGAM1 has demonstrated a reduction in tumor growth rate in animal models. While specific in vivo data for PGAM1-IN-1 are limited, it is expected to suppress tumor growth by inhibiting glycolysis in cancer cells. Further studies are needed to characterize its in vivo efficacy.
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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-1 is added at varying concentrations (0.5-100 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, or A549) are treated with PGAM1-IN-1 (5-100 uM) for 24-72 hours. Cell proliferation is assessed by MTT or CCK-8 assays. Glycolytic flux is measured by lactate production (lactate assay kit) and glucose consumption (glucose assay kit). Cellular ATP levels are quantified by luciferase-based assays. PGAM1 activity in cell lysates is measured using the same coupled enzyme assay as above.
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| Animal Protocol |
For animal studies, PGAM1-IN-1 can be administered intraperitoneally or intravenously to tumor-bearing mice. 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 flux (lactate, ATP levels), and proliferation markers (Ki-67). Mouse body weight is monitored for toxicity assessment.
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| ADME/Pharmacokinetics |
PGAM1-IN-1 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. Detailed pharmacokinetic parameters (half-life, Cmax, AUC) have not been extensively reported but are likely available in the literature from preclinical studies.
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| Toxicity/Toxicokinetics |
Preclinical toxicology data for PGAM1-IN-1 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 non-specific 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-1 (CAS: 2438637-65-9) has a molecular formula of C23H20F3N5O4 and a molecular weight of 435.81. It is a valuable tool for studying the role of PGAM1 in cancer metabolism, the Warburg effect, and therapeutic strategies targeting tumor glycolysis. PGAM1 is an emerging target for anticancer drug discovery. It is not an approved drug.
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| Molecular Formula |
C19H11CLFNO6S
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|---|---|
| Molecular Weight |
435.81
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| Exact Mass |
434.997
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| CAS # |
2438637-65-9
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| PubChem CID |
138454804
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.704±0.06 g/cm3(Predicted)
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| Boiling Point |
686.2±65.0 °C(Predicted)
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| LogP |
4.1
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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 |
3
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| Heavy Atom Count |
29
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| Complexity |
733
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C2C(=C1)OC3=CC(=CC(=C3C2=O)O)NS(=O)(=O)C4=C(C(=CC=C4)Cl)F)O
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| InChi Key |
HOMMZVQJPVUUEL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H11ClFNO6S/c20-10-3-1-6-15(18(10)21)29(26,27)22-9-7-12(24)17-14(8-9)28-13-5-2-4-11(23)16(13)19(17)25/h1-8,22-24H
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| Chemical Name |
3-chloro-N-(1,8-dihydroxy-9-oxoxanthen-3-yl)-2-fluorobenzenesulfonamide
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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: 5 mg/mL (11.47 mM)
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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 | 2.2946 mL | 11.4729 mL | 22.9458 mL | |
| 5 mM | 0.4589 mL | 2.2946 mL | 4.5892 mL | |
| 10 mM | 0.2295 mL | 1.1473 mL | 2.2946 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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