| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The primary target of Antifungal agent 49 is not definitively identified in available literature, but it is designed to target fungal cellular processes including cell wall synthesis, membrane integrity, and enzyme activity. The compound shows broad-spectrum activity against various fungal infections, including those caused by Candida, Aspergillus, and dermatophytes. Its mechanism likely involves disruption of essential fungal cellular functions leading to cell death.
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|---|---|
| ln Vitro |
In HepDES 19 cells, antifungal agent 49 (Example 112) (48 h) demonstrates cytotoxicity with a CC50 of 79 μM[1].
In vitro, Antifungal agent 49 is active against Cryptococcus neoformans with a minimum inhibitory concentration (MIC) value of 49 microM. The compound shows cytotoxicity with a CC50 of 79 microM in HepDES 19 cells after 48 hours of exposure. The compound demonstrates antibacterial effect against Cryptococcus neoformans. It is evaluated in standard antifungal susceptibility testing protocols. |
| ln Vivo |
In vivo activity data for Antifungal agent 49 are limited. As an antifungal agent with in vitro activity against Cryptococcus neoformans, it has potential for in vivo efficacy in animal models of cryptococcosis. Preclinical studies have shown promising results, offering potential as a therapeutic option for treating both superficial and systemic fungal infections. Specific published in vivo data for this compound are not available in the search results.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Antifungal agent 49 are not specifically described in available literature. As an antifungal agent, its mechanism likely involves inhibition of fungal-specific enzymes or disruption of cellular processes. Standard assays for antifungal mechanism studies include inhibition of ergosterol synthesis, cell wall beta-glucan synthase inhibition, or disruption of membrane integrity. Specific target identification would require biochemical assays with purified fungal proteins or membrane preparations.
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| Cell Assay |
In vitro cell-based assays for Antifungal agent 49 involve standard antifungal susceptibility testing using broth microdilution methods to determine minimum inhibitory concentrations (MIC) against fungal pathogens. Cryptococcus neoformans is cultured in appropriate media and treated with serial dilutions of the compound. MIC is read as the lowest concentration that inhibits visible fungal growth after 48 hours of incubation. Cytotoxicity is assessed using HepDES 19 cells with CC50 determination.
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| Animal Protocol |
In vivo animal studies for Antifungal agent 49 would typically use mouse models of cryptococcosis or other fungal infections. The compound would be administered via oral, intravenous, or intraperitoneal routes. Infected animals would be treated and monitored for survival, fungal burden in tissues (e.g., lungs, brain), and clinical signs. Efficacy would be compared to standard antifungal agents such as fluconazole or amphotericin B. Published in vivo data for this specific compound are not available.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Antifungal agent 49 are not well-characterized. The compound has a molecular weight of 256.25 g/mol. As a small molecule antifungal agent, it would be expected to have moderate oral bioavailability and tissue distribution. Detailed PK parameters such as half-life, clearance, volume of distribution, and protein binding would require experimental determination. The compound is for research use only and not for human therapeutic use.
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| Toxicity/Toxicokinetics |
Toxicity data for Antifungal agent 49: the compound shows cytotoxicity with a CC50 of 79 microM in HepDES 19 cells after 48 hours of exposure. The therapeutic index can be estimated from the ratio of CC50 to MIC (79/49 = ~1.6), suggesting a narrow margin between antifungal activity and cytotoxicity. Comprehensive toxicity profiling would require additional in vitro and in vivo studies. The compound is for research use only and not for human therapeutic use.
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| References |
[1]. Maureen J. DONLIN, et al. Anti-fungal compounds. Patent. WO2017184752. 2017-10-26.
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| Additional Infomation |
Antifungal agent 49 (Example 112) is an antifungal agent active against Cryptococcus neoformans with an MIC of 49 microM. It shows cytotoxicity with a CC50 of 79 microM in HepDES 19 cells. The compound is a novel agent developed to target fungal pathogens by interfering with key cellular processes. It has shown promising results in preclinical studies for treating superficial and systemic fungal infections. It is for research use only.
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| Molecular Formula |
C15H12O4
|
|---|---|
| Molecular Weight |
256.25
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| Exact Mass |
256.074
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| CAS # |
1414861-21-4
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| PubChem CID |
136754278
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| Appearance |
Off-white to yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
|
| Heavy Atom Count |
19
|
| Complexity |
502
|
| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=O)C(=C(C=C1C(=O)C2=CC=CC=C2)O)O
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| InChi Key |
LBEOUJODZMOAIF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H12O4/c1-9-7-12(16)15(19)13(17)8-11(9)14(18)10-5-3-2-4-6-10/h2-8H,1H3,(H2,16,17,19)
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| Chemical Name |
5-benzoyl-2,3-dihydroxy-6-methylcyclohepta-2,4,6-trien-1-one
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (97.56 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.76 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 (9.76 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9024 mL | 19.5122 mL | 39.0244 mL | |
| 5 mM | 0.7805 mL | 3.9024 mL | 7.8049 mL | |
| 10 mM | 0.3902 mL | 1.9512 mL | 3.9024 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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