| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 500mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
Glutaminase C (IC50 = 38 nM); rat DGAT-1 (IC50 = 120 nM)
Diacylglycerol O-acyltransferase 1 (DGAT-1) |
|---|---|
| ln Vitro |
DGAT1-IN-3 uses an IC20 of 0.2 μM to block the potassium channel encoded by the human ether-a-go-go-related gene (hERG)[1].
DGAT1-IN-3 inhibits inhibits human DGAT-1 with an EC50 of 0.66 μM in CHOK1 cells[1]. DGAT1-IN-3 is a selective, potent inhibitor of DGAT-1 with IC50 values of 38 nM for human DGAT-1 and 120 nM for rat DGAT-1. The compound selectively inhibits DGAT-1, the enzyme catalyzing the final step of triglyceride biosynthesis, without significant activity against other lipid metabolic enzymes. This selectivity makes DGAT1-IN-3 a valuable tool for studying the role of DGAT-1 in lipid metabolism and energy homeostasis. |
| ln Vivo |
DGAT1-IN-3 (5-50 mg/kg; p.o once daily for three weeks) enhances lipid profile and lowers weight gain and plasma triglycerides[2].
DGAT1-IN-3 (50 mg/kg; p.o) has a maximum exposure level in plasma (Cmax) of 24 μM and a good oral bioavailability of 77%[2]. DGAT1-IN-3 (5 mg/kg; i.v) has low clearance (13.5 mL/min/kg) and terminal elimination half-lives (1.95 h)[2]. In vivo, DGAT1-IN-3 (5-50 mg/kg; p.o. once daily for three weeks) reduces weight gain and plasma triglycerides, and improves lipid profile. The compound's ability to inhibit triglyceride synthesis translates into reduced fat accumulation and improved metabolic parameters in animal models. DGAT1-IN-3 (50 mg/kg; p.o.) demonstrates efficacy in modulating lipid metabolism. |
| Enzyme Assay |
DGAT-1 enzyme activity is measured using radiometric or fluorescence-based assays with recombinant human and rat DGAT-1 enzymes and appropriate substrates. IC50 values are determined from dose-response curves to establish potency against both human and rat DGAT-1. Selectivity profiling is conducted against other lipid metabolic enzymes to confirm specificity for DGAT-1.
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| Cell Assay |
Cellular potency is evaluated in cell-based assays measuring triglyceride synthesis and lipid accumulation in adipocytes or hepatocytes. Cells are treated with DGAT1-IN-3 at various concentrations to determine inhibition of DGAT-1 activity in a cellular context. The compound's effects on lipid metabolism and energy homeostasis are assessed through these cellular studies.
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| Animal Protocol |
Three-month-old male Sprague Dawley DIO rats (fed with a high-fat diet)[2]
0, 5, 25, 50 mg/kg; once daily for three weeks P.o. administration In vivo efficacy is evaluated in rodent models of obesity and metabolic syndrome. DGAT1-IN-3 is administered orally at doses of 5-50 mg/kg once daily for three weeks. Body weight gain, plasma triglycerides, and lipid profiles are measured to assess the compound's effects on metabolic parameters. The compound's oral bioavailability supports its use in these in vivo studies. |
| ADME/Pharmacokinetics |
DGAT1-IN-3 is an orally bioavailable inhibitor of DGAT-1. The compound demonstrates favorable pharmacokinetic properties that support in vivo studies in metabolic disease models. Oral administration results in adequate exposure to achieve therapeutic concentrations for DGAT-1 inhibition. Detailed PK parameters are available from preclinical studies.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for DGAT1-IN-3 are limited as the compound is primarily used as a research tool. Preclinical studies indicate that the compound is tolerated at efficacious doses in animal models. Standard laboratory safety precautions should be observed during handling. The compound is not intended for human therapeutic use and has not been evaluated in formal toxicology studies.
|
| References | |
| Additional Infomation |
DGAT1-IN-3 is a valuable research tool for studying the role of DGAT-1 in triglyceride biosynthesis, lipid metabolism, and metabolic disorders. DGAT-1 inhibitors have been explored as potential therapeutic agents for obesity, dyslipidemia, and metabolic syndrome. The compound's selectivity for human versus rat DGAT-1 (38 nM vs. 120 nM) highlights species differences in enzyme inhibition that are important for translational research.
|
| Molecular Formula |
C20H19F3N4O3
|
|---|---|
| Molecular Weight |
420.385074853897
|
| Exact Mass |
420.14
|
| Elemental Analysis |
C, 57.14; H, 4.56; F, 13.56; N, 13.33; O, 11.42
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| CAS # |
939375-07-2
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| Related CAS # |
939375-07-2
|
| PubChem CID |
16757107
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| Appearance |
Light yellow to yellow solid powder
|
| LogP |
3.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
|
| Heavy Atom Count |
30
|
| Complexity |
560
|
| Defined Atom Stereocenter Count |
0
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| SMILES |
CN(CCOC)C1=NC=C(C=C1)NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F
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| InChi Key |
QEZWDFXCTTZZRI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
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| Chemical Name |
N-[6-[2-methoxyethyl(methyl)amino]pyridin-3-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
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| Synonyms |
DGAT1-IN-3; RO-5006036; RO5006036; RO 5006036
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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 requires protection from light (avoid light exposure) during transportation and storage. |
| 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: ~100 mg/mL (~237.9 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.95 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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 | 2.3787 mL | 11.8937 mL | 23.7874 mL | |
| 5 mM | 0.4757 mL | 2.3787 mL | 4.7575 mL | |
| 10 mM | 0.2379 mL | 1.1894 mL | 2.3787 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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