| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
G6PDi-1 targets glucose-6-phosphate dehydrogenase (G6PD), the rate-limiting enzyme of the pentose phosphate pathway. G6PD generates NADPH, which is essential for maintaining cellular redox balance, lipid biosynthesis, and the production of reactive oxygen species. By inhibiting G6PD, G6PDi-1 depletes NADPH and reduces the availability of reducing equivalents for cellular processes. The compound is a reversible, noncompetitive inhibitor.
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| ln Vitro |
In vitro, G6PDi-1 effectively inhibits G6PD with an IC50 of 70 nM for human G6PD. Across a range of cultured cells, the compound depletes NADPH most strongly in lymphocytes. In T cells, G6PDi-1 significantly reduces the production of inflammatory cytokines, but this effect is not observed in macrophages. The compound dose-dependently and reversibly decreases 6-phosphogluconolactone (6-PG) levels in HCT116 and HepG2 cell lines in vitro.
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| ln Vivo |
In vivo, G6PDi-1 has potential applications in studying immune modulation and inflammatory diseases. By depleting NADPH in lymphocytes and reducing inflammatory cytokine production, the compound may modulate immune responses. However, specific in vivo efficacy data for G6PDi-1 have not been detailed in the available literature. The compound's effects on NADPH depletion and cytokine production in T cells suggest potential for studying inflammatory and autoimmune conditions.
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| Enzyme Assay |
For in vitro enzyme assays, recombinant human G6PD protein is incubated with glucose-6-phosphate and NADP+ in assay buffer at 37°C. The test compound is added at various concentrations (0.1-1000 nM). Enzyme activity is measured by monitoring the reduction of NADP+ to NADPH at 340 nm. IC50 values are calculated by fitting dose-response curves. The compound is a reversible, noncompetitive inhibitor, so kinetic studies can be performed at varying substrate concentrations to confirm the mechanism of inhibition.
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| Cell Assay |
For cell-based assays, lymphocytes, T cells, or other cell types are treated with G6PDi-1 at concentrations ranging from 0.01-10 µM for 4-24 hours. NADPH levels are measured using biochemical assays or fluorescent probes. Inflammatory cytokine production (such as IL-2, IFN-γ, TNF-α) is measured by ELISA or multiplex assays in T cells. Cell viability is assessed to confirm that the effects on NADPH and cytokine production are not due to cytotoxicity. 6-phosphogluconolactone levels can be measured by LC-MS.
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| Animal Protocol |
For in vivo studies, animal models of inflammation or autoimmune disease would be used. G6PDi-1 would be administered via oral or intraperitoneal routes at doses determined from pharmacokinetic studies. NADPH levels in lymphocytes and other tissues would be measured. Inflammatory cytokine levels in plasma and tissues would be assessed by ELISA. Disease severity would be monitored depending on the model. However, specific in vivo protocols for G6PDi-1 have not been detailed in the available literature.
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| ADME/Pharmacokinetics |
G6PDi-1 is soluble in DMSO at 57 mg/mL (200.46 mM) but is insoluble in water and ethanol. For in vivo administration, it can be formulated as a homogeneous suspension in CMC-Na at ≥5 mg/mL. Storage is recommended at -20°C for long-term stability. Further detailed PK parameters including half-life, oral bioavailability, and tissue distribution would be required for in vivo studies.
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| Toxicity/Toxicokinetics |
Toxicological data for G6PDi-1 have not been extensively reported in the available literature. As a research compound, it is intended for laboratory use only and is not for human or veterinary use. Standard safety precautions should be followed when handling this compound. Comprehensive toxicology studies would be required before any clinical development.
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| References |
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| Additional Infomation |
G6PDi-1 is a potent, reversible, noncompetitive inhibitor of G6PD with an IC50 of 70 nM. It depletes NADPH most strongly in lymphocytes and reduces inflammatory cytokine production in T cells. The compound decreases 6-phosphogluconolactone levels in HCT116 and HepG2 cells. G6PDi-1 is used in research to study G6PD biology, NADPH metabolism, and immune modulation. It is a research tool and is not approved for clinical use.
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| Molecular Formula |
C14H12N4OS
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|---|---|
| Molecular Weight |
284.3363
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| Exact Mass |
284.073
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| CAS # |
2457232-14-1
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| PubChem CID |
145998284
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
527.6±60.0 °C at 760 mmHg
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| Flash Point |
272.9±32.9 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.658
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| LogP |
2.51
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
20
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| Complexity |
421
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC(=O)C2=CN=C(N=C2C1)NC3=CSC(=C3)C#N
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| InChi Key |
USWCHVCZOGGQQA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H12N4OS/c15-6-10-5-9(8-20-10)17-14-16-7-11-12(18-14)3-1-2-4-13(11)19/h5,7-8H,1-4H2,(H,16,17,18)
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| Chemical Name |
4-[(5-oxo-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-2-yl)amino]thiophene-2-carbonitrile
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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 : ~50 mg/mL (~175.85 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (8.79 mM) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5169 mL | 17.5846 mL | 35.1692 mL | |
| 5 mM | 0.7034 mL | 3.5169 mL | 7.0338 mL | |
| 10 mM | 0.3517 mL | 1.7585 mL | 3.5169 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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