| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
ACG-548B targets multiple enzymes. Its primary target is choline kinase α (ChoKα), an enzyme involved in phospholipid metabolism and cancer cell proliferation. It also inhibits acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). This multi-target profile makes it a unique compound for studying these pathways.
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|---|---|
| ln Vitro |
In vitro, ACG-548B is a potent inhibitor of ChoKα with an IC50 of 0.12 µM and >400-fold selectivity over ChoKβ. It also inhibits AChE and BChE with IC50s of 1.78 and 0.496 µM, respectively. It exhibits anti-proliferative activity against HT29 cells with an IC50 of 2.08 µM.
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| ln Vivo |
In vivo activity data for ACG-548B are not provided in the search results. As a multi-target inhibitor, it could have potential in cancer research, but its in vivo efficacy would need to be evaluated in animal models. Its development as a therapeutic agent would depend on these studies.
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| Enzyme Assay |
The in vitro enzyme assay for ACG-548B involves measuring its inhibition of choline kinase α (ChoKα) activity. The enzyme is incubated with [14C]-choline and ATP, and the production of [14C]-phosphocholine is measured. The decrease in product formation in the presence of the compound is used to calculate the IC50.
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| Cell Assay |
Cellular in vitro experiments for ACG-548B are conducted using cancer cell lines, such as HT29 colorectal cancer cells. Cells are treated with the compound, and cell viability is assessed using MTT or similar assays to determine the IC50. The effect on choline metabolism can be assessed by measuring phosphocholine levels.
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| Animal Protocol |
In vivo animal experiments for ACG-548B would involve using mouse xenograft models of cancer. The compound would be administered, and tumor growth would be monitored. The effects on ChoKα, AChE, and BChE activity in tissues would also be measured to confirm target engagement.
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| References |
| Molecular Formula |
C38H34BR2CL2N4
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|---|---|
| Molecular Weight |
777.417365550995
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| Exact Mass |
776.05
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| CAS # |
795316-16-4
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| Related CAS # |
795316-16-4 (bromide);807314-65-4 (cation);
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| PubChem CID |
11366263
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| Appearance |
Yellow to brown solid powder
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
46
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| Complexity |
759
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN(C1=CC=C(C=C1)Cl)C2=CC=[N+](C=C2)CC3=CC(=CC=C3)C4=CC=CC(=C4)C[N+]5=CC=C(C=C5)N(C)C6=CC=C(C=C6)Cl.[Br-].[Br-]
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| InChi Key |
1,1'-([1,1'-biphenyl]-3,3'-diylbis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)pyridin-1-ium) bromide
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| InChi Code |
ZFCCRPWNWOHZEN-UHFFFAOYSA-L
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| Chemical Name |
ACG-548B ACG 548B ACG548B
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| Synonyms |
ACG548B ACG 548B ACG-548B
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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: ~50 mg/mL (~64.3 mM; with ultrasonication)
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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 | 1.2863 mL | 6.4315 mL | 12.8631 mL | |
| 5 mM | 0.2573 mL | 1.2863 mL | 2.5726 mL | |
| 10 mM | 0.1286 mL | 0.6432 mL | 1.2863 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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