| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
MAC13243 HCl specifically targets LolA, a periplasmic chaperone protein that is essential for the survival of Gram-negative bacteria. LolA is responsible for the transport of lipoproteins from the inner membrane to the outer membrane, a process that is unique to Gram-negative bacteria and is critical for their viability. By inhibiting LolA, MAC13243 disrupts this transport pathway, leading to the accumulation of lipoproteins in the inner membrane and ultimately causing cell death. This mechanism of action is distinct from that of most conventional antibiotics, making MAC13243 a valuable tool for studying bacterial cell envelope biology and for developing novel antibacterial agents. It is a likely inhibitor of LolA.
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| ln Vitro |
In vitro, MAC13243 HCl demonstrates specific Gram-negative antibacterial activity. It has a minimum inhibitory concentration (MIC) of 16 μg/mL against Escherichia coli and 4 μg/mL against Pseudomonas aeruginosa. These MIC values indicate that the compound is more potent against P. aeruginosa than against E. coli in this assay. Its selectivity for Gram-negative bacteria is a key feature, as it does not significantly affect Gram-positive organisms. The compound's activity is attributed to its inhibition of LolA, which is essential for the transport of lipoproteins in Gram-negative bacteria. Studies have also shown that the antibacterial activity of MAC13243 is suppressed or sensitized in response to increases or decreases of LolA copy number, respectively, further confirming its mechanism of action.
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| ln Vivo |
In vivo studies for MAC13243 HCl are not extensively detailed in the provided sources. As a research compound targeting a novel bacterial pathway, its in vivo efficacy would be a critical step in its evaluation. Preclinical studies would typically involve animal models of infection, such as murine models of sepsis or pneumonia caused by Gram-negative pathogens. In such studies, infected animals would be treated with MAC13243, and endpoints would include survival, bacterial burden in tissues, and assessment of inflammatory markers. The compound's ability to specifically inhibit LolA in vivo would be confirmed by analyzing bacterial lipoprotein transport. However, specific in vivo efficacy data are not available in the public domain, and its development as a therapeutic agent remains at an early stage.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for MAC13243 HCl are not applicable in the traditional sense, as its target is a protein (LolA) involved in a transport process, not an enzyme or a receptor. Its activity is assessed by measuring its ability to inhibit bacterial growth and by studying its interaction with LolA. Studies have investigated the degradation of MAC13243 into the active species, S-(4-chlorobenzyl)isothiourea, and have characterized the interaction of resulting thiourea compounds with LolA. These studies are crucial for understanding the compound's mechanism of action and for optimizing its activity.
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| Cell Assay |
In vitro cellular assays for MAC13243 HCl are the primary method for evaluating its antibacterial activity. In these experiments, bacterial cultures, such as E. coli or P. aeruginosa, are grown in the presence of serial dilutions of the compound. The minimum inhibitory concentration (MIC) is determined as the lowest concentration that inhibits visible bacterial growth. These assays are standard for characterizing antibacterial agents and provide a quantitative measure of the compound's potency against specific pathogens. The selectivity of the compound for Gram-negative bacteria is confirmed by testing its activity against a panel of both Gram-negative and Gram-positive organisms.
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| Animal Protocol |
In vivo animal studies for MAC13243 HCl are not detailed in the provided sources. As a preclinical candidate for treating Gram-negative infections, its evaluation in animal models would be essential. These studies would typically involve infecting mice with a lethal dose of a Gram-negative pathogen and then treating them with MAC13243. The primary endpoints would be survival and the reduction of bacterial load in organs such as the spleen, liver, and lungs. Pharmacodynamic studies would also be performed to assess target engagement and the correlation between drug exposure and efficacy. The outcomes of these studies would be critical for determining the compound's therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MAC13243 HCl are not detailed in the provided sources. It has a molecular weight of 442.40 g/mol and a molecular formula of C20H25Cl2N3O2S. It is soluble in DMSO at 50 mg/mL, which is a common solvent for preparing stock solutions. For storage, the compound is typically kept at -20°C. Its physicochemical properties suggest it is a small, moderately lipophilic molecule. However, specific data on its absorption, distribution, metabolism, and excretion are not available, which would be crucial for its development as a therapeutic agent.
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| Toxicity/Toxicokinetics |
Toxicological data for MAC13243 HCl are limited, as it is a research compound. Its primary value is as a tool for studying bacterial physiology and for validating LolA as a therapeutic target. While specific toxicity profiles are not detailed, its mechanism of targeting a bacterial-specific protein suggests that it may have a favorable selectivity profile. However, comprehensive safety studies, including assessments of cytotoxicity, genotoxicity, and off-target effects, have not been reported in the public domain. As with all research chemicals, it should be handled with appropriate laboratory safety precautions.
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| Additional Infomation |
MAC13243 HCl is a research-use-only compound that acts as an inhibitor of the bacterial lipoprotein targeting chaperone, LolA. Its CAS number is 1071638-38-4. It is a selective antibacterial agent with activity against Gram-negative bacteria, including E. coli and P. aeruginosa. Its distinct mechanism of action, targeting a process essential for the viability of Gram-negative bacteria, makes it a valuable tool for studying bacterial cell envelope biology and for discovering new antibiotics. It is not an approved drug and is intended for non-clinical research applications.
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| Molecular Formula |
C20H25CL2N3O2S
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| Molecular Weight |
442.399
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| Exact Mass |
441.104
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| CAS # |
1071638-38-4
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| PubChem CID |
2806781
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
4.513
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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 |
8
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| Heavy Atom Count |
28
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| Complexity |
474
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=CC(=CC=1)CSC1=NCN(CCC2=CC(OC)=C(C=C2)OC)CN1.Cl
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| InChi Key |
VCJIDISBDZWDOJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H24ClN3O2S.ClH/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16;/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23);1H
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| Chemical Name |
6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
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| Synonyms |
MAC-13243; MAC 13243; MAC13243 HCl
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (~113.02 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.65 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.65 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. 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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.65 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2604 mL | 11.3020 mL | 22.6040 mL | |
| 5 mM | 0.4521 mL | 2.2604 mL | 4.5208 mL | |
| 10 mM | 0.2260 mL | 1.1302 mL | 2.2604 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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