| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Acetyl-CoA Carboxylase-IN-1 targets acetyl-CoA carboxylase (ACC). ACC is a biotin-dependent enzyme that catalyzes the carboxylation of acetyl-CoA to malonyl-CoA, the rate-limiting step in fatty acid biosynthesis. The compound inhibits ACC with an IC50 of less than 5 nM. By inhibiting ACC, the compound reduces malonyl-CoA levels, thereby disrupting fatty acid synthesis. The compound has antibacterial activity, suggesting that it targets bacterial ACC as well as mammalian ACC. The compound has a molecular formula of C13H9Br2N5 and a molecular weight of 395.05 g/mol.
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| ln Vitro |
Acetyl-CoA Carboxylase-IN-1 (compound 1) exhibits antibacterial activity against Escherichia coli, with MIC values ranging from >25 to 3.13, 25, 0.39, 1.56, and 0.1 μM [1].
In vitro studies have demonstrated that Acetyl-CoA Carboxylase-IN-1 is a potent inhibitor of ACC with an IC50 of less than 5 nM. The compound has antibacterial activity. The compound’s ability to inhibit ACC has been confirmed in enzyme assays using purified ACC. The compound’s antibacterial activity suggests that it can inhibit bacterial ACC, which is essential for bacterial fatty acid synthesis and membrane integrity. |
| ln Vivo |
No detailed in vivo activity data for Acetyl-CoA Carboxylase-IN-1 has been published in the available literature. The compound has been primarily characterized in vitro as a research tool for studying ACC inhibition and antibacterial activity. Its ability to inhibit ACC suggests that it could have potential for in vivo applications in metabolic diseases or bacterial infections, but further studies would be needed to evaluate its efficacy in animal models.
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| Enzyme Assay |
The ACC inhibitory activity of Acetyl-CoA Carboxylase-IN-1 can be assessed using in vitro enzyme assays. In a typical assay, recombinant ACC is incubated with acetyl-CoA, ATP, bicarbonate, and varying concentrations of the compound. The production of malonyl-CoA is measured using a coupled assay or by radiometric detection. The IC50 is calculated from dose-response curves. The compound shows an IC50 of less than 5 nM.
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| Cell Assay |
The antibacterial activity of Acetyl-CoA Carboxylase-IN-1 is assessed using standard susceptibility testing methods. In a typical assay, bacterial strains are grown in appropriate media and treated with varying concentrations of the compound. The minimum inhibitory concentration (MIC) is determined using the broth microdilution method. The compound has demonstrated antibacterial activity.
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| Animal Protocol |
No detailed in vivo animal model data for Acetyl-CoA Carboxylase-IN-1 has been published in the available literature. The compound has been primarily characterized in vitro as a research tool for studying ACC inhibition and antibacterial activity. Future studies may involve the use of mouse models of metabolic disease or bacterial infection to assess the in vivo efficacy of Acetyl-CoA Carboxylase-IN-1.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data for Acetyl-CoA Carboxylase-IN-1 has been published in the available literature. The compound has a molecular weight of 395.05 g/mol and a molecular formula of C13H9Br2N5. It is soluble in DMSO at 33.33 mg/mL (84.37 mM) with ultrasonic and warming to 60°C. The compound is typically stored at -20°C. Further studies would be needed to characterize the absorption, distribution, metabolism, and excretion (ADME) properties of Acetyl-CoA Carboxylase-IN-1.
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| Toxicity/Toxicokinetics |
No detailed toxicity data for Acetyl-CoA Carboxylase-IN-1 has been published in the available literature. As a research compound, Acetyl-CoA Carboxylase-IN-1 has not been subjected to comprehensive toxicology studies. The compound is intended for research use only and is not for human therapeutic use. Comprehensive toxicology studies would be required to evaluate the safety profile of Acetyl-CoA Carboxylase-IN-1 for potential therapeutic development.
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| References | |
| Additional Infomation |
Acetyl-CoA Carboxylase-IN-1 (CAS#: 179343-23-8) is a potent inhibitor of acetyl-CoA carboxylase (ACC) with an IC50 of less than 5 nM. The compound has antibacterial activity and can be applied in the study of metabolic diseases. It has a molecular formula of C13H9Br2N5, a molecular weight of 395.05 g/mol, and a purity of ≥95%. The compound is soluble in DMSO and is typically stored at -20°C. It is a valuable research tool for studying the role of ACC in fatty acid metabolism and bacterial physiology.
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| Molecular Formula |
C13H9BR2N5
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|---|---|
| Molecular Weight |
395.05
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| Exact Mass |
392.922
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| CAS # |
179343-23-8
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| PubChem CID |
5328120
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.543
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
20
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| Complexity |
335
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
HGIPWJYTPOHUGK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
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| Chemical Name |
6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
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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 : 33.33 mg/mL (84.37 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 | 2.5313 mL | 12.6566 mL | 25.3133 mL | |
| 5 mM | 0.5063 mL | 2.5313 mL | 5.0627 mL | |
| 10 mM | 0.2531 mL | 1.2657 mL | 2.5313 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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