| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
GR148672X targets triacylglycerol hydrolase (TGH), also known as carboxylesterase 1 (CES1), with an IC₅₀ of 4 nM. It is selective for TGH/CES1 over lipoprotein lipase (LPL) at 5 μM. By inhibiting TGH, the compound blocks the hydrolysis of triacylglycerols, thereby modulating lipid metabolism and fatty acid release from lipid stores.
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| ln Vitro |
In vitro, GR148672X demonstrates potent inhibition of TGH/CES1 activity with an IC₅₀ of 4 nM. The compound shows selectivity for TGH/CES1 over other lipases such as lipoprotein lipase. It is used in biochemical assays to study the role of TGH in lipid metabolism, triglyceride hydrolysis, and energy homeostasis.
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| ln Vivo |
In vivo, GR148672X has been studied in animal models to evaluate its effects on lipid metabolism and triglyceride hydrolysis. As a TGH inhibitor, it has potential applications in research on obesity, dyslipidemia, and metabolic disorders. The compound's effects on lipid homeostasis and energy metabolism are areas of ongoing investigation. Detailed results are available in specialized pharmacological literature.
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| Enzyme Assay |
TGH enzyme inhibition assays: Recombinant human TGH/CES1 enzyme is incubated with a fluorogenic or radiometric substrate (e.g., triolein or 4-methylumbelliferyl oleate) in the presence of GR148672X at various concentrations (typically 0.1-100 nM). Enzyme activity is measured by detecting the release of fluorescent or radioactive product. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
For cell-based assays, hepatocyte cell lines or adipocytes are cultured in appropriate media at 37°C with 5% CO₂. Cells are treated with GR148672X at various concentrations (typically 1-1000 nM) for specified time periods. TGH activity is measured by assessing triglyceride hydrolysis or fatty acid release. Lipid accumulation is assessed by Oil Red O staining or lipid extraction and quantification.
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| Animal Protocol |
In vivo efficacy studies are conducted in rodent models of obesity or dyslipidemia. GR148672X is formulated in suitable vehicles (e.g., saline, DMSO/PEG mixtures) and administered via oral gavage, intraperitoneal, or intravenous injection at specified doses. Pharmacokinetic parameters are assessed by collecting blood samples and analyzing compound concentrations via HPLC or LC-MS/MS. Lipid profiles and triglyceride levels are measured in plasma and tissues.
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| ADME/Pharmacokinetics |
GR148672X has molecular formula C₁₅H₁₁F₃N₂O₂S and molecular weight 340.32. It is soluble in DMSO (310 mg/mL, 910.91 mM) with sonication and heating recommended. The compound is typically stored as powder at -20°C for up to 3 years or in solvent at -80°C for 1 year. Synonyms include 4,4,4-trifluoro-1-(2-thienyl)-1,2,3-butanetrione 2-[(3-methylphenyl)hydrazone].
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| References | |
| Additional Infomation |
GR148672X is a synthetic trifluoromethyl ketone derivative that functions as a potent and selective inhibitor of triacylglycerol hydrolase/carboxylesterase 1 (TGH/CES1) with an IC₅₀ of 4 nM. It is selective for TGH/CES1 over lipoprotein lipase at 5 μM. The compound was developed as a research tool for studying lipid metabolism and triglyceride hydrolysis and is documented in patent WO 2001016358 A2. It is intended for research purposes only.
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| Molecular Formula |
C15H11F3N2O2S
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|---|---|
| Molecular Weight |
340.32
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| Exact Mass |
340.049
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| CAS # |
263890-70-6
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| Related CAS # |
263890-70-6
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| PubChem CID |
135457124
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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 |
394.6±52.0 °C at 760 mmHg
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| Flash Point |
192.4±30.7 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.575
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| LogP |
4.18
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
23
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| Complexity |
505
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C=CC=C1/C(=C(/C(C(F)(F)F)=O)\N=N\C1=CC=CC(C)=C1)/O
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| InChi Key |
YNUQHMHMYSUKFL-NDENLUEZSA-N
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| InChi Code |
InChI=1S/C15H11F3N2O2S/c1-9-4-2-5-10(8-9)19-20-12(14(22)15(16,17)18)13(21)11-6-3-7-23-11/h2-8,19H,1H3/b20-12-
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| Chemical Name |
(2E)-4,4,4-trifluoro-2-[(3-methylphenyl)hydrazinylidene]-1-thiophen-2-ylbutane-1,3-dione
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| Synonyms |
GR148672X GR-148672X GR 148672X.
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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: This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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 : ~41.67 mg/mL (~122.44 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.11 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 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. Solubility in Formulation 2: 2.08 mg/mL (6.11 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 ultrasonication. 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 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 | 2.9384 mL | 14.6921 mL | 29.3841 mL | |
| 5 mM | 0.5877 mL | 2.9384 mL | 5.8768 mL | |
| 10 mM | 0.2938 mL | 1.4692 mL | 2.9384 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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