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| Targets |
Sorbicillin does not have a well-defined specific therapeutic target but exhibits multiple biological activities. As a fungal metabolite, it may interact with various cellular targets involved in inflammation, apoptosis, and neuroprotection. Its mechanism of action involves disrupting cell wall synthesis and inhibiting enzyme activity in fungi and bacteria. It also induces apoptosis in cancer cells.
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| ln Vitro |
Sorbicillin exhibits anti-inflammatory and antibacterial activities. It induces apoptosis in HL-60 cells. The compound has potential neuroprotective activity, making it useful for studying neurological diseases. As a sorbicillinoid analogue, it acts as a potent anti-inflammation agent. Its mechanism of action involves disrupting cell wall synthesis and inhibiting enzyme activity in pathogens. Specific IC50 values and detailed activity data are not extensively documented.
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| ln Vivo |
In vivo activity data for Sorbicillin are not extensively documented. As a compound with anti-inflammatory, antibacterial, and neuroprotective activities, it may have potential for various therapeutic applications. However, specific in vivo efficacy studies in animal models are not specified in the public domain. The compound is intended for research use only and is not approved for human therapeutic applications.
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| Enzyme Assay |
The in vitro anti-inflammatory assay for Sorbicillin typically involves measuring its effects on inflammatory markers in cells. Cells are treated with varying concentrations of Sorbicillin (typically 0.1-100 µM) and stimulated with LPS. Inflammatory cytokines such as TNF-α, IL-6, and IL-1β are measured by ELISA. Antibacterial activity is assessed by broth microdilution methods against bacterial strains. The compound is dissolved in DMSO and diluted in cell culture medium.
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| Cell Assay |
In vitro cellular assays for Sorbicillin typically involve treating HL-60 cells or other cell lines with the compound at concentrations ranging from 0.1 to 100 µM for 24-72 hours. Apoptosis is assessed by Annexin V/PI staining, caspase activity assays, or DNA fragmentation analysis. Cell viability is assessed using MTT or CellTiter-Glo assays. The compound is dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for Sorbicillin are not extensively documented. For potential in vivo applications, the compound could be administered to mice via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Inflammation models, infection models, or neurological disease models could be used to evaluate efficacy. Inflammatory markers, bacterial burden, and neuroprotective effects are assessed.
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| ADME/Pharmacokinetics |
Sorbicillin has a molecular weight of 232.28 g/mol and formula C14H16O3. It is soluble in DMSO (80.00 mg/mL, 344.41 mM). Recommended storage is powder at -20°C for up to 3 years and in solvent at -80°C for up to 1 year. Purity is 99.38%. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination.
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| Toxicity/Toxicokinetics |
Sorbicillin is intended for research use only and is not approved for human therapeutic applications. As a fungal metabolite, it may have toxicity at high concentrations. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects. The compound's anti-inflammatory and antibacterial activities suggest potential for therapeutic applications.
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| References | |
| Additional Infomation |
Sorbicillin belongs to the phenolic compound class. It has been reported to be found in Penicillium, Aspergillus flavus, and other organisms with relevant data.
Sorbicillin (CAS 79950-85-9) is a sorbic acid-like compound extracted from Penicillium with a molecular weight of 232.28 g/mol and formula C14H16O3. It exhibits anti-inflammatory and antibacterial activities, induces apoptosis in HL-60 cells, and has potential neuroprotective activity. Sorbicillin is a fungal metabolite and is also known as a sorbicillinoid analogue. The compound is not approved for clinical use. |
| Molecular Formula |
C14H16O3
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|---|---|
| Molecular Weight |
232.27504
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| Exact Mass |
232.11
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| CAS # |
79950-85-9
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| PubChem CID |
5376187
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.14g/cm3
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| Boiling Point |
425.7ºC at 760 mmHg
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| Flash Point |
225.4ºC
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| Index of Refraction |
1.586
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| LogP |
3.029
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
319
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC=CC=CC(=O)C1=C(C(=C(C(=C1)C)O)C)O
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| InChi Key |
RKKPUBAAIGFXOG-YTXTXJHMSA-N
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| InChi Code |
InChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4+,7-6+
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| Chemical Name |
(2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-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 |
| 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 (~430.51 mM)
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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 | 4.3051 mL | 21.5257 mL | 43.0515 mL | |
| 5 mM | 0.8610 mL | 4.3051 mL | 8.6103 mL | |
| 10 mM | 0.4305 mL | 2.1526 mL | 4.3051 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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