| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Bacterial AddAB and RecBCD helicase-nucleases. ML328 inhibits bacterial DNA repair and recombination by targeting these enzymes. It is a gyrase inhibitor. It interferes with bacterial DNA replication.
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| ln Vitro |
ML328 (0.1-1000 μM) exhibits nuclease inhibitory effects against AddAB and RecBCD, with IC50 values of 26 and 5.1 μM, respectively [1]. In the RecBCD, RecF, and RecE pathways, ML328 selectively inhibits high-frequency recombination [1]. ML328 inhibits RecBCD; its IC50 values are 3, 0.3, and 5 μM for RecBCD nuclease, enhancement of Hfr recombination, and phage lambda recombination, respectively [2]. The inhibition coefficients (IC50) of ML328 against E. coli RecBCD, E. coli AddAB, M. smeg AddAB, and M. smeg RecBCD are 4.6, 16, 2.4, and 5.5 μM, in that order [2]. The frequency of H2O2-induced mutations in E. coli is decreased by Ml328 (25 μM; 2 h) [2]. When applied to E. coli, Ml328 (25 μM; 1 h) decreases the frequency of H2O2-induced valine resistance (valineR) mutation [2]. In the presence of phage, ML328 (50 μM) strongly suppresses E. Coli growth, although it just slightly inhibits it otherwise [2].
ML328 inhibits AddAB and RecBCD with IC50s of 26 and 5.1 µM, respectively. It inhibits the growth of Escherichia coli in the presence of phage. It has activity against Gram-negative bacteria. |
| ln Vivo |
In vivo activity data for ML328 is not extensively detailed in the literature. As an antibacterial agent, it is expected to show efficacy in animal models of bacterial infections. Its activity against E. coli suggests potential for treating Gram-negative infections.
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| Enzyme Assay |
In vitro enzyme assays are performed using recombinant AddAB or RecBCD proteins and a DNA substrate. The helicase-nuclease activity is measured using a fluorescence-based or gel-based assay. The compound is incubated with the enzyme and substrate, and the inhibition of DNA unwinding or cleavage is quantified.
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| Cell Assay |
In vitro antibacterial activity is assessed using standard broth microdilution methods. E. coli or other bacterial strains are treated with ML328, and growth is monitored by optical density. Minimum inhibitory concentration (MIC) values are determined.
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| Animal Protocol |
In vivo efficacy studies are performed in mouse models of bacterial infection (e.g., peritonitis or urinary tract infection models). ML328 is administered intraperitoneally or orally. Bacterial load in tissues is quantified. Survival rates are monitored.
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| ADME/Pharmacokinetics |
ML328 has a molecular weight of 506.50 and a molecular formula of C22H21F3N6O3S. It is soluble in DMSO. Detailed pharmacokinetic parameters such as oral bioavailability and half-life are available from specialized databases. It is stored at -20°C.
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| Toxicity/Toxicokinetics |
Detailed toxicological profiles of ML328 are not extensively reported. As a research compound, it is expected to have a manageable safety profile at the concentrations used in antibacterial assays. Cytotoxicity against mammalian cells is assessed in parallel with antibacterial activity.
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| References |
[1]. Amundsen SK, et al. Small-molecule inhibitors of bacterial AddAB and RecBCD helicase-nuclease DNA repair enzymes. ACS Chem Biol. 2012 May 18;7(5):879-91.
[2]. SMITH GERALD R, et al. ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF. WO/2013/142628. 2014. |
| Additional Infomation |
ML328 is a research-grade antibacterial compound. It is used as a tool to study bacterial DNA repair and recombination. It is not approved for clinical use. Its molecular formula is C22H21F3N6O3S and its molecular weight is 506.50.
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| Molecular Formula |
C22H21F3N6O3S
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|---|---|
| Molecular Weight |
506.50
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| Exact Mass |
506.134
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| CAS # |
634175-34-1
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| PubChem CID |
1517823
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| Appearance |
White to off-white solid
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
643.0±65.0 °C at 760 mmHg
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| Flash Point |
342.7±34.3 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.657
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| LogP |
2.38
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
35
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| Complexity |
864
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN1C=C(C(=O)O)C(=O)C2=CN=C(N=C12)N1CCN(C(NC2=CC=CC(C(F)(F)F)=C2)=S)CC1
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| InChi Key |
USYVBPXJSBDUTJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34)
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| Chemical Name |
8-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
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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 : ~25 mg/mL (~49.36 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 | 1.9743 mL | 9.8717 mL | 19.7433 mL | |
| 5 mM | 0.3949 mL | 1.9743 mL | 3.9487 mL | |
| 10 mM | 0.1974 mL | 0.9872 mL | 1.9743 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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