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| 10mg |
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| 25mg |
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| 50mg |
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| 250mg |
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Ac-CoA Synthase Inhibitor1, also known as ACSS2 Inhibitor or Ac-CoA Synthase Inhibitor I, is a Ac-CoA Synthase Inhibitor with antiviral effects.
| 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].
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| References |
| 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 |
|---|---|
| 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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