| Size | Price | Stock | Qty |
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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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| 500mg | |||
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| Targets |
Ac-CoA Synthase Inhibitor 1 specifically targets acetyl-CoA synthetase 2 (ACSS2), an enzyme that plays a critical role in the utilization of acetate. It has an IC50 of 0.6 µM for ACSS2. By inhibiting ACSS2, the compound disrupts the conversion of acetate to acetyl-CoA, thereby affecting both lipid synthesis and histone acetylation. This mechanism is relevant for studying cancer metabolism and viral infections.
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| ln Vitro |
Ac-CoA Synthase Inhibitor1 has an IC50 of 5 μM and prevents lipid and histone absorption of [14C]acetate in cells. HepG2 cells' capacity to incorporate [14C]acetate into lipids is inhibited by Ac-CoA Synthase Inhibitor1, with an IC50 of 6.8 μM. Ac-CoA Synthase Inhibitor1 has an IC50 of 5.5 μM and inhibits HepG2's histone acetylation when it uses [14C]acetate[1].
In vitro, Ac-CoA Synthase Inhibitor 1 demonstrates potent activity against ACSS2. It inhibits the ability of HepG2 cells to incorporate [14C]acetate into lipids with an IC50 of 6.8 µM. It also inhibits HepG2 utilization of [14C]acetate for histone acetylation with an IC50 of 5.5 µM. These results confirm its dual role in blocking both metabolic and epigenetic pathways that depend on acetate. |
| ln Vivo |
In vivo, Ac-CoA Synthase Inhibitor 1 is used in research to study the role of acetate metabolism. By inhibiting ACSS2, it can modulate lipid synthesis and histone acetylation in vivo, which is relevant for studying diseases like cancer and metabolic disorders. Its antiviral activity also makes it a candidate for studying viral infections. While specific in vivo data are not detailed, its mechanism supports its use in such studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for Ac-CoA Synthase Inhibitor 1 are performed using ACSS2 enzyme activity assays. In these assays, the enzyme is incubated with acetate, ATP, and CoA, and the production of acetyl-CoA is measured. The inhibitor is tested at varying concentrations to determine its IC50. The IC50 of 0.6 µM for ACSS2 confirms its potent inhibition of this enzyme.
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| Cell Assay |
In vitro cellular assays for Ac-CoA Synthase Inhibitor 1 are conducted using cell lines like HepG2 cells. Cells are treated with the compound and then incubated with [14C]acetate. The incorporation of radioactivity into lipids and histones is measured to assess the compound's effects on these metabolic pathways. The IC50 values of 6.8 µM for lipid incorporation and 5.5 µM for histone acetylation confirm its cellular activity.
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| Animal Protocol |
In vivo animal studies for Ac-CoA Synthase Inhibitor 1 are not extensively detailed in the provided sources. However, as a tool for studying acetate metabolism, it would be used in animal models of cancer or metabolic diseases. In such studies, animals would be treated with the compound, and endpoints would include tumor growth, lipid levels, and markers of histone acetylation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Ac-CoA Synthase Inhibitor 1 are indicated by its molecular weight of 410.51 g/mol and its molecular formula of C₂₀H₁₈N₄O₂S₂. Its solubility and other PK parameters are not detailed in the provided sources. For storage, it is typically kept as a powder at -20°C for up to 3 years. These properties are important for its handling in laboratory experiments.
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| Toxicity/Toxicokinetics |
Toxicological data for Ac-CoA Synthase Inhibitor 1 are limited, as it is a research compound. Its primary value is as a tool for studying acetate metabolism. While specific toxicity profiles are not detailed, its mechanism of inhibiting a key metabolic enzyme could have significant effects. Comprehensive safety studies are not available in the public domain.
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| References | |
| Additional Infomation |
Ac-CoA Synthase Inhibitor 1 is a research-use-only compound that acts as a potent and specific ACSS2 inhibitor. Its CAS number is 508186-14-9. It is also known as an ACSS2 inhibitor. This compound is a valuable tool for researchers studying the role of acetate metabolism in cancer, obesity, and other metabolic disorders. It is not an approved drug.
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| Molecular Formula |
C20H18N4O2S2
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|---|---|
| Molecular Weight |
410.51
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| Exact Mass |
410.087
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| Elemental Analysis |
C, 58.52; H, 4.42; N, 13.65; O, 7.79; S, 15.62
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| CAS # |
508186-14-9
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| Related CAS # |
508186-14-9
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| PubChem CID |
2300455
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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 |
539.3±50.0 °C at 760 mmHg
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| Flash Point |
280.0±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.691
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| LogP |
3.71
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
28
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| Complexity |
526
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C([H])=C([H])C([H])=C1C1C(C2=C([H])C([H])=C([H])S2)=NC2C([H])=C([H])C(=C([H])C=2N=1)N([H])C(N([H])C([H])([H])C([H])([H])OC([H])([H])[H])=O
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| InChi Key |
CTPVNWVUAGMHEJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18N4O2S2/c1-26-9-8-21-20(25)22-13-6-7-14-15(12-13)24-19(17-5-3-11-28-17)18(23-14)16-4-2-10-27-16/h2-7,10-12H,8-9H2,1H3,(H2,21,22,25)
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| Chemical Name |
1-(2,3-di(Thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
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| Synonyms |
ACSS-1; Ac-CoA Synthase Inhibitor I; MDK-6149; MDK 6149; MDK6149; ACSS2 Inhibitor
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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 : 15~31.25 mg/mL ( 36.53~76.12 mM)
Ethanol : ~2 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.09 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.07 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.07 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 10% DMSO+90% Corn Oil: ≥ 2.5 mg/mL (6.09 mM) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4360 mL | 12.1800 mL | 24.3599 mL | |
| 5 mM | 0.4872 mL | 2.4360 mL | 4.8720 mL | |
| 10 mM | 0.2436 mL | 1.2180 mL | 2.4360 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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