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| Targets |
MGAT2-IN-1 targets monoacylglycerol acyltransferase 2 (MGAT2), an enzyme involved in the resynthesis of triglycerides and diacylglycerols in the intestine. Inhibition of MGAT2 reduces dietary fat absorption and has potential therapeutic applications for obesity, diabetes, and metabolic syndrome.
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| ln Vitro |
In vitro, MGAT2-IN-1 potently inhibits human and mouse MGAT2 with IC₅0 values of 7.8 nM and 2.4 nM, respectively. The compound shows high potency and selectivity for MGAT2 over other acyltransferases.
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| ln Vivo |
The rise of plasma TG and plasma CM/TG AUC in mice was dose-dependently reduced by TP-020 (3, 10 mg/kg, oral). While TP-020 inhibits MGAT2-dependent TG/DG resynthesis, it does not decrease MG absorption. TP-020 markedly elevated levels of acylcarnitine and free fatty acid (FFA) in lipid utilization assays. Additionally, dose-dependently, TP-020 (30 mg/kg) dramatically decreased food intake and prevented weight gain. In mice, TP-020 exhibits anti-diabetic properties [1].
In vivo, MGAT2-IN-1 dose-dependently reduces the rise of plasma triglycerides and chylomicron triglyceride AUC in mice at 3 and 10 mg/kg oral doses. The compound markedly elevates levels of acylcarnitine and free fatty acid in lipid utilization assays, dose-dependently decreases food intake (30 mg/kg), prevents weight gain, and exhibits anti-diabetic properties in mice. |
| Enzyme Assay |
For in vitro enzyme binding assays, MGAT2-IN-1 is evaluated using recombinant human and mouse MGAT2 enzymes in acyltransferase activity assays. The compound is incubated with the enzyme and substrates (e.g., monoacylglycerol and acyl-CoA), and the formation of diacylglycerol or triglyceride is measured. IC₅0 values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cellular assays, MGAT2-IN-1 is dissolved in DMSO and applied to intestinal epithelial cells or adipocytes. MGAT2 activity, lipid synthesis, and cellular triglyceride content are assessed using biochemical assays or mass spectrometry.
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| Animal Protocol |
In vivo animal studies with MGAT2-IN-1 typically involve oral administration in mice. Common protocols include dosing at 3, 10, or 30 mg/kg, followed by measurement of plasma triglycerides, chylomicron levels, food intake, body weight, and glucose tolerance.
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| ADME/Pharmacokinetics |
Pharmacokinetic data indicate that MGAT2-IN-1 is orally bioavailable. The compound has a molecular weight of 654.01 and molecular formula C2₇H21ClF₅N₇O3S. It should be stored as a powder at -20degC for up to 3 years.
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| Toxicity/Toxicokinetics |
Toxicology data for MGAT2-IN-1 are limited to preclinical observations. The compound has demonstrated anti-diabetic effects and weight reduction in mice. As a metabolic enzyme inhibitor, careful dose optimization is required. Not approved for human use.
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| References | |
| Additional Infomation |
MGAT2-IN-1 (CAS#: 1800025-30-2) has the molecular formula C2₇H21ClF₅N₇O3S and molecular weight 654.01. The chemical name is N-(4-chloro-2,6-difluorophenyl)-1-{5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrimidin-2-yl}-7-(2-oxopyrrolidin-1-yl)-2,3-dihydro-1H-indole-5-sulfonamide. It is a research reagent only.
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| Molecular Formula |
C27H21CLF5N7O3S
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|---|---|
| Molecular Weight |
654.010760068893
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| Exact Mass |
653.103
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| CAS # |
1800025-30-2
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| PubChem CID |
91885570
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| Appearance |
White to gray solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
44
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| Complexity |
1150
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=C(C(=C(C=1)F)NS(C1C=C(C2=C(C=1)CCN2C1N=CC(C2=CC(C(F)(F)F)=NN2C)=CN=1)N1C(CCC1)=O)(=O)=O)F
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| InChi Key |
VSZRYLHBOKTNBO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H21ClF5N7O3S/c1-38-20(11-22(36-38)27(31,32)33)15-12-34-26(35-13-15)40-6-4-14-7-17(10-21(25(14)40)39-5-2-3-23(39)41)44(42,43)37-24-18(29)8-16(28)9-19(24)30/h7-13,37H,2-6H2,1H3
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| Chemical Name |
N-(4-chloro-2,6-difluorophenyl)-1-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrimidin-2-yl]-7-(2-oxopyrrolidin-1-yl)-2,3-dihydroindole-5-sulfonamide
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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 (~191.13 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 | 1.5290 mL | 7.6451 mL | 15.2903 mL | |
| 5 mM | 0.3058 mL | 1.5290 mL | 3.0581 mL | |
| 10 mM | 0.1529 mL | 0.7645 mL | 1.5290 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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