| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg |
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| Targets |
Antibacterial agent 26 targets dihydrofolate reductase (DHFR), a key enzyme in the folate biosynthesis pathway essential for DNA synthesis and cell division. It is a potent DHFR inhibitor with a Ki of 0.020 nM against Staphylococcus aureus DHFR. By inhibiting DHFR, the compound disrupts bacterial folate metabolism, leading to inhibition of DNA synthesis and bacterial cell death.
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| ln Vitro |
In vitro, Antibacterial agent 26 is a potent antibacterial compound. It is a potent DHFR inhibitor with a Ki of 0.020 nM against Staphylococcus aureus DHFR. It is used in preclinical research to investigate mechanisms of resistance and develop new strategies against multi-drug-resistant pathogens.
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| ln Vivo |
In vivo, Antibacterial agent 26 has potential for preclinical research to combat multidrug-resistant (MDR) and nosocomial infections. However, specific in vivo efficacy data in animal models are not detailed in the available literature.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for Antibacterial agent 26 involves measuring its inhibition of dihydrofolate reductase (DHFR) activity. The Ki value of 0.020 nM against Staphylococcus aureus DHFR is determined by quantifying the reduction in enzyme activity. The compound's antibacterial activity is evaluated using standard broth microdilution methods to determine minimum inhibitory concentrations (MIC).
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| Cell Assay |
In vitro cell-based assays for Antibacterial agent 26 involve treating bacterial cultures with the compound and assessing bacterial growth inhibition. The compound's effects on bacterial cell viability and proliferation are evaluated. Its selectivity for bacterial DHFR over mammalian DHFR is also assessed.
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| Animal Protocol |
In vivo animal studies for Antibacterial agent 26 would likely involve infection models in rodents. The compound would be administered, and bacterial load in tissues would be measured. However, specific protocols are not detailed in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Antibacterial agent 26 are not extensively detailed in the available literature. The molecular weight is 347.37. For storage, powder should be kept at -20°C.
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| Toxicity/Toxicokinetics |
No specific toxicity data for Antibacterial agent 26 are available in the provided literature. The compound is for research use only and not for human therapeutic applications. Standard laboratory safety precautions should be followed when handling.
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| Additional Infomation |
Antibacterial agent 26 is a potent antibacterial compound and DHFR inhibitor. It is a valuable lead compound for developing next-generation antibiotics. It is for research use only. Its CAS number is 75369-40-3.
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| Molecular Formula |
C19H17N5O2
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|---|---|
| Molecular Weight |
347.370583295822
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| Exact Mass |
347.138
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| CAS # |
75369-40-3
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| PubChem CID |
141502910
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| Appearance |
White to off-white solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
510
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C)C(C1C=CC(=CC=1)CN1C=CC2C3=C(N)N=C(N)N=C3C=CC1=2)=O
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| InChi Key |
BHSTYBXRXPZJCW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H17N5O2/c1-26-18(25)12-4-2-11(3-5-12)10-24-9-8-13-15(24)7-6-14-16(13)17(20)23-19(21)22-14/h2-9H,10H2,1H3,(H4,20,21,22,23)
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| Chemical Name |
methyl 4-[(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)methyl]benzoate
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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 : ~83.33 mg/mL (~239.89 mM )
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.99 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 20.8 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: ≥ 2.08 mg/mL (5.99 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 20.8 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 | 2.8788 mL | 14.3939 mL | 28.7877 mL | |
| 5 mM | 0.5758 mL | 2.8788 mL | 5.7575 mL | |
| 10 mM | 0.2879 mL | 1.4394 mL | 2.8788 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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