| 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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| 250mg | |||
| Other Sizes |
| Targets |
MAC13772 specifically targets BioA (7,8-diaminopelargonic acid aminotransferase), the enzyme catalyzing the penultimate step in biotin biosynthesis. By inhibiting BioA, the compound blocks biotin production, which is essential for bacterial survival. Biotin is a critical cofactor for various carboxylase enzymes involved in fatty acid synthesis, gluconeogenesis, and amino acid metabolism in bacteria. MAC13772 demonstrates selectivity for bacterial BioA over mammalian enzymes, contributing to its antibacterial specificity. The compound is effective against antibiotic-resistant pathogens including carbapenem-resistant P. aeruginosa.
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| ln Vitro |
In vitro, MAC13772 demonstrates potent inhibition of BioA enzyme activity with an IC50 of 250 nM. The compound exhibits antibacterial activity against various bacterial strains. It selectively inhibits PABA biosynthesis in Mycobacterium tuberculosis. MAC13772 is effective against antibiotic-resistant pathogens and dampens the viability of carbapenem-resistant P. aeruginosa (CRPA). The compound’s antibacterial activity is attributed to its ability to block biotin biosynthesis, a pathway essential for bacterial growth and survival. MIC values are determined against various bacterial cultures using standard broth dilution methods.
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| ln Vivo |
In vivo, MAC13772 has shown efficacy in animal models of bacterial infection. As a novel antibacterial compound, it has been evaluated for its ability to treat infections caused by antibiotic-resistant pathogens. The compound’s mechanism of action through BioA inhibition and subsequent biotin depletion makes it a promising candidate for addressing drug-resistant bacterial infections. Further in vivo studies are ongoing to fully characterize its therapeutic potential. The compound is typically administered via oral or parenteral routes in preclinical efficacy studies.
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| Enzyme Assay |
In vitro enzyme assays for MAC13772 involve measuring BioA (7,8-diaminopelargonic acid aminotransferase) activity in cell-free systems. The enzyme’s activity is assessed by monitoring the conversion of 7,8-diaminopelargonic acid to biotin or related intermediates. MAC13772 is added at varying concentrations (typically 0-100 μM) and IC50 values are calculated from dose-response curves. Enzyme inhibition is confirmed using purified recombinant BioA protein. Assays are performed in appropriate buffer systems at optimal pH and temperature. Positive controls include known BioA inhibitors, and negative controls include vehicle-only treatments.
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| Cell Assay |
In vitro cell-based assays for MAC13772 are conducted using bacterial cultures including antibiotic-resistant strains such as carbapenem-resistant P. aeruginosa (CRPA). Bacteria are cultured in appropriate media at 37°C. The compound is added at varying concentrations, and bacterial growth is monitored by optical density measurements or colony counting. Minimum inhibitory concentration (MIC) values are determined using standard broth microdilution methods. Selectivity is assessed by testing the compound against mammalian cell lines to evaluate cytotoxicity. Experiments are performed in triplicate with appropriate positive (known antibiotics) and negative (vehicle) controls.
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| Animal Protocol |
In vivo animal studies for MAC13772 are conducted in mouse models of bacterial infection. Immunocompromised or normal mice are infected with pathogenic bacteria such as carbapenem-resistant P. aeruginosa. MAC13772 is administered via oral gavage, intravenous, or intraperitoneal injection at various doses. Bacterial burden in tissues (e.g., spleen, liver, lungs) is quantified by colony counting. Survival rates and clinical signs are monitored. Pharmacokinetic parameters may be determined from plasma samples. Studies are conducted in accordance with institutional animal care guidelines.
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| Molecular Formula |
C8H9N3O3S
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|---|---|
| Molecular Weight |
227.24000
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| Exact Mass |
227.036
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| CAS # |
4871-40-3
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| PubChem CID |
2807216
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.44 g/cm3
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| Boiling Point |
461ºC at 760mmHg
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| Flash Point |
232.6ºC
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| Index of Refraction |
1.649
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| LogP |
2.291
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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 |
3
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| Heavy Atom Count |
15
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| Complexity |
244
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NN
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| InChi Key |
CZXFCCXLFQCYBK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
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| Chemical Name |
2-(2-nitrophenyl)sulfanylacetohydrazide
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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 : ~17.86 mg/mL (~78.60 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.79 mg/mL (7.88 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 17.9 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4006 mL | 22.0032 mL | 44.0063 mL | |
| 5 mM | 0.8801 mL | 4.4006 mL | 8.8013 mL | |
| 10 mM | 0.4401 mL | 2.2003 mL | 4.4006 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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