| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
GLS1 (glutaminase 1), also known as kidney-type (K-type) glutaminase (KGA). Glutaminase-IN-1 is an allosteric inhibitor of KGA that blocks the conversion of glutamine to glutamate, a critical step in tumor cell metabolism and proliferation.
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| ln Vitro |
CB839, an allosteric framework of kidney-type glutaminase (KGA) containing 1,3,4-oxadiazole, contains the amino acid glutaminase-IN-1 (CPD20), which has an IC50 of 1 nM. Tumor anti-activity and cell feeding are enhanced by glutaminase-IN-1. In comparison to the comparable BPTES, the IC50 values of glutaminase-IN-1 in A549, H2, Caki-1, and HCT116 cell lines were 17 nM, 6.78 μM, 19 nM, and 9 nM, respectively. CB839 has superior KGA inhibitory action [1].
Glutaminase-IN-1 inhibits KGA with an IC₅0 of 1 nM. As a CB839 derivative, it shows enhanced potency and may have improved pharmacokinetic properties. The compound blocks glutamine metabolism, depriving cancer cells of a key energy source and biosynthetic precursor. It shows antitumor activity in aggressive H22 hepatocellular carcinoma xenograft models. |
| ln Vivo |
Glutaminase-IN-1 (10 mg/kg, sc) reduced HCT116 tumor size and weight, and statistical analysis showed that CPD20 had a statistically significant 40% reduction in tumor weight. Glutaminase-IN-1 can greatly lengthen the survival of H22 mice [1].
In vivo, Glutaminase-IN-1 demonstrates antitumor activity in aggressive H22 hepatocellular carcinoma xenograft models. By inhibiting glutaminase, the compound disrupts tumor cell metabolism and proliferation. Efficacy would be assessed in various cancer models, particularly those dependent on glutamine metabolism (e.g., triple-negative breast cancer, MYC-driven tumors, and certain hematologic malignancies). |
| Enzyme Assay |
Glutaminase enzymatic activity is measured using a coupled enzyme assay. Glutaminase converts glutamine to glutamate, which is then detected by a glutamate dehydrogenase-coupled reaction that produces NADH. Recombinant KGA enzyme is incubated with glutamine substrate and serial dilutions of test compound, and the rate of NADH production is monitored. IC₅0 values are calculated from dose-response curves.
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| Cell Assay |
Cancer cell lines (e.g., H22 hepatocellular carcinoma, triple-negative breast cancer cells) are treated with Glutaminase-IN-1 at various concentrations for 48-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. Glutamine consumption and glutamate production are measured using biochemical assays. Apoptosis and cell cycle changes are assessed by flow cytometry.
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| Animal Protocol |
Mice bearing subcutaneous H22 hepatocellular carcinoma xenografts or other tumor models are administered Glutaminase-IN-1 orally or intraperitoneally. Tumor growth is monitored by caliper measurements. Tumors are harvested for pharmacodynamic analysis of glutaminase inhibition, glutamine/glutamate levels, and apoptosis markers. Efficacy is determined by tumor growth inhibition and survival.
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| ADME/Pharmacokinetics |
Glutaminase-IN-1 has a molecular weight of 618.47 g/mol and formula C2₆H24F3N₇O3Se. The compound contains selenium, which may influence its pharmacokinetic and toxicity profile. Standard PK parameters would be determined in rodent studies. As a CB839 derivative, it is expected to have oral bioavailability.
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| Toxicity/Toxicokinetics |
Toxicology data for Glutaminase-IN-1 are not publicly available. As a selenium-containing compound, potential selenium-related toxicities would need to be evaluated. Standard preclinical safety assessment would include cytotoxicity assays, hERG testing, and repeat-dose toxicology studies in rodents.
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| References | |
| Additional Infomation |
Glutaminase-IN-1 is a research compound for cancer metabolism studies. It is not clinically approved. The compound is a derivative of CB-839 (telaglenastat), which has been evaluated in clinical trials for cancer. Glutaminase-IN-1 serves as a tool for studying glutamine metabolism in cancer and developing novel anticancer therapies targeting metabolic reprogramming.
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| Molecular Formula |
C26H24F3N7O3SE
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|---|---|
| Molecular Weight |
618.469074249268
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| Exact Mass |
619.105
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| CAS # |
2247127-79-1
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| PubChem CID |
137319720
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
40
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| Complexity |
812
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Se]1C(NC(CC2C=CC=CN=2)=O)=NN=C1CCCCC1=CC=C(N=N1)NC(CC1C=CC=C(C=1)OC(F)(F)F)=O
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| InChi Key |
KWZUDGWKTNIKJY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H24F3N7O3Se/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
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| Chemical Name |
N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-selenadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
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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 (~202.11 mM)
H2O : ~2 mg/mL (~3.23 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.36 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 1.44 mg/mL (2.33 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 14.4 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 | 1.6169 mL | 8.0845 mL | 16.1689 mL | |
| 5 mM | 0.3234 mL | 1.6169 mL | 3.2338 mL | |
| 10 mM | 0.1617 mL | 0.8084 mL | 1.6169 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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