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| Other Sizes |
| Targets |
Croconazole targets lanosterol 14α-demethylase (CYP51), a key enzyme in the ergosterol biosynthesis pathway in fungi. By inhibiting this enzyme, croconazole disrupts the synthesis of ergosterol, an essential component of the fungal cell membrane. This leads to membrane damage and fungal cell death. The compound is selective for fungal CYP51 over human cytochrome P450 enzymes.
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| ln Vitro |
In vitro, Croconazole demonstrates antifungal activity against various fungal species. Specific MIC values are not detailed in the available literature. As an azole antifungal, it is effective against dermatophytes and yeasts. The compound is used in research on fungal infections and antifungal drug development.
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| ln Vivo |
In vivo, Croconazole is used for the treatment of superficial fungal infections. It is applied topically in dermatological formulations. Specific in vivo efficacy data are not detailed in the available literature, but azole antifungals are well-established for treating skin and mucosal fungal infections.
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| Enzyme Assay |
The antifungal activity is assessed using standard broth microdilution assays following CLSI guidelines. Fungal strains are cultured in appropriate media and treated with serial dilutions of Croconazole. The MIC is defined as the lowest concentration that inhibits visible growth. CYP51 inhibitory activity is assessed using enzyme assays with recombinant fungal CYP51 and appropriate substrates.
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| Cell Assay |
For cellular studies, fungal cultures are grown in appropriate broth media. Croconazole is added at various concentrations, and fungal growth is monitored by measuring optical density or by colony counting on agar plates. For cytotoxicity assessment, mammalian cell lines may be used, with cell viability measured by MTT or similar assays. The compound is typically dissolved in DMSO and diluted in culture media.
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| Animal Protocol |
In vivo efficacy studies for Croconazole are conducted in animal models of superficial fungal infection. The compound is applied topically to infected skin areas. Fungal burden is assessed by culture or histopathology. However, specific published protocols for this compound are not available.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Croconazole are not extensively reported. As a topical antifungal, systemic absorption is minimal. The compound has a molecular formula of C₁₈H₁₇Cl₂N₃O₂ and a molecular weight of 378.25 g/mol.
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| Toxicity/Toxicokinetics |
As a topical antifungal, Croconazole is generally well-tolerated. Local irritation or allergic reactions may occur in some individuals. Systemic toxicity is minimal due to low absorption. Comprehensive toxicology studies for systemic administration have not been reported. The compound should be handled with appropriate safety precautions.
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| References | |
| Additional Infomation |
Croconazole is an imidazole antifungal drug, a conazole antifungal drug, a monochlorobenzene compound, and an aromatic ether compound.
Croconazole is an azole antifungal that inhibits fungal CYP51 for treating superficial fungal infections. Molecular formula: C₁₈H₁₇Cl₂N₃O₂, molecular weight: 378.25. No systemic clinical approvals exist. For research use only. |
| Molecular Formula |
C18H15CLN2O
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|---|---|
| Molecular Weight |
310.78
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| Exact Mass |
310.087
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| CAS # |
77175-51-0
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| Related CAS # |
77174-66-4 (hydrochloride)
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| PubChem CID |
2880
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.16g/cm3
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| Boiling Point |
501.5ºC at 760 mmHg
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| Melting Point |
72-73ºC
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| Flash Point |
257.1ºC
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| Index of Refraction |
1.593
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| LogP |
4.634
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
22
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| Complexity |
376
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C=C(N1C=CN=C1)C2=CC=CC=C2OCC3=CC=CC(Cl)=C3
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| InChi Key |
WHPAGCJNPTUGGD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2
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| Chemical Name |
1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2177 mL | 16.0886 mL | 32.1771 mL | |
| 5 mM | 0.6435 mL | 3.2177 mL | 6.4354 mL | |
| 10 mM | 0.3218 mL | 1.6089 mL | 3.2177 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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