| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg | |||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
Nilofabicin targets FabI (enoyl-ACP reductase), an essential enzyme in the bacterial fatty acid synthesis (FAS II) pathway. FabI catalyzes the final step of each elongation cycle in fatty acid biosynthesis, reducing enoyl-ACP to acyl-ACP. Inhibition of FabI disrupts bacterial cell membrane synthesis, leading to bactericidal activity. Nilofabicin is selective for bacterial FabI and has no significant activity against mammalian fatty acid synthase.
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| ln Vitro |
In vitro, nilofabicin demonstrates potent antibacterial activity against Staphylococcus aureus with an MIC₉₀ of 0.5 μg/mL. It is more effective than linezolid or vancomycin against S. aureus strains. The compound is soluble in DMSO at 100 mg/mL (293.74 mM). It is a solid, white to off-white in color. Specific EC₅₀ values and activity against other bacterial species are documented in the literature.
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| ln Vivo |
Nilofabicin has been evaluated in clinical trials for the treatment of skin infections. In vivo efficacy has been demonstrated in animal models of bacterial infection. The compound's potent activity against S. aureus, including methicillin-resistant strains, makes it a promising candidate for treating complicated acute bacterial infections. Further clinical development would be required to establish its full therapeutic potential.
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| Enzyme Assay |
FabI enzyme inhibition assays are performed using purified enoyl-ACP reductase enzyme and appropriate substrates. Enzyme activity is measured spectrophotometrically by monitoring the oxidation of NADH or NADPH. Nilofabicin is tested at various concentrations, and IC₅₀ values are calculated from dose-response curves. The compound's binding affinity for FabI can be determined using surface plasmon resonance or isothermal titration calorimetry.
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| Cell Assay |
In vitro antibacterial susceptibility testing is performed using broth microdilution or agar dilution methods following CLSI guidelines. S. aureus strains are cultured in Mueller-Hinton broth at 35°C. Nilofabicin is tested at serial two-fold dilutions, and MIC values are determined after 18-24 hours of incubation. The compound is dissolved in DMSO for stock solutions and diluted in culture media. MTT assays may be used to assess bacterial viability.
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| Animal Protocol |
In vivo efficacy is evaluated in murine models of S. aureus infection, including skin and soft tissue infection models. Nilofabicin is administered intraperitoneally or orally at various doses. Endpoints include survival rates, bacterial load in tissues (CFU counts), and histopathological assessment of infection sites. Pharmacokinetic studies are conducted to determine plasma concentrations and tissue distribution.
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| ADME/Pharmacokinetics |
Nilofabicin (CG-400549) has a molecular weight of 340.44 and molecular formula C₁₉H₂₀N₂O₂S with CAS number 934628-27-0. It is a solid, white to off-white in color. The compound should be stored at 4°C, protected from light. In solvent, it can be stored at -80°C for 6 months or -20°C for 1 month. It is soluble in DMSO at 100 mg/mL. Specific pharmacokinetic parameters are documented in the literature from clinical and preclinical studies.
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| Toxicity/Toxicokinetics |
Specific toxicity data for nilofabicin are documented in preclinical and clinical studies. As an antibacterial agent, its safety profile has been evaluated in clinical trials for skin infections. Common adverse effects associated with FabI inhibitors may include gastrointestinal disturbances and injection site reactions. Further toxicity characterization would be required for full clinical development. Standard laboratory safety precautions should be followed when handling this compound.
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| Additional Infomation |
CG400549 has been used in trials investigating the treatment of skin infections.
Nilofabicin (CG-400549) is a FabI inhibitor with potent activity against Staphylococcus aureus, including methicillin-resistant strains. It has been investigated in clinical trials for the treatment of skin infections. The compound represents a promising new class of antibacterial agents targeting bacterial fatty acid biosynthesis, which is distinct from clinically used antibiotics. Its development addresses the need for new antibiotics to combat drug-resistant bacterial infections. It is commercially available for research purposes only. |
| Molecular Formula |
C19H20N2O2S
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|---|---|
| Molecular Weight |
340.441
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| Exact Mass |
340.125
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| CAS # |
934628-27-0
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| PubChem CID |
11844916
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| Appearance |
White to off-white solid powder
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| Density |
1.273 g/cm3
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| Boiling Point |
607.121ºC at 760 mmHg
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| Flash Point |
320.975ºC
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| LogP |
4.051
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
24
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| Complexity |
506
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1N(CC2C(C)=C(N)C=CC=2)C=CC(OCCC2=CC=CS2)=C1
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| InChi Key |
YCLREGRRHGLOAK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3
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| Chemical Name |
1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one
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| Synonyms |
CG400549; CG 400549; CG-400549
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~100 mg/mL (~293.74 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.34 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 (7.34 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 (7.34 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 | 2.9374 mL | 14.6869 mL | 29.3738 mL | |
| 5 mM | 0.5875 mL | 2.9374 mL | 5.8748 mL | |
| 10 mM | 0.2937 mL | 1.4687 mL | 2.9374 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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