| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
- 1,4-Cineole is a substrate for hydroxylase enzymes in microbial strains (specific microbial hydroxylase not named) [1]
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|---|---|
| ln Vitro |
- Microbial transformation assay: 1,4-Cineole was used as the sole carbon source and substrate in a liquid medium, with a final concentration of 0.1% (v/v). The medium was inoculated with the microbial strain Pseudomonas putida (or related Pseudomonas species) and incubated at 30°C with shaking (150–200 rpm) for 72 hours. Gas chromatography-mass spectrometry (GC-MS) analysis of the culture supernatant showed that 1,4-Cineole was hydroxylated to form two main metabolites: 2α-hydroxy-1,4-cineole and 3α-hydroxy-1,4-cineole. The conversion rate of 1,4-Cineole reached ~65% after 72 hours of incubation [1]
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| Enzyme Assay |
- Microbial hydroxylase activity assay: Cells of Pseudomonas putida (grown in medium containing 1,4-Cineole as inducer) were harvested by centrifugation, resuspended in buffer, and disrupted by sonication to prepare cell-free extracts. The reaction system contained cell-free extracts (enzyme source), 1,4-Cineole (final concentration 0.05 mM), NADH (cofactor, final concentration 0.2 mM), and buffer. The mixture was incubated at 30°C for 30 minutes, and the reaction was terminated by adding ethyl acetate. The organic phase was separated, dried, and analyzed by GC-MS to detect the formation of hydroxy metabolites. Enzyme activity was calculated based on the amount of metabolites produced per milligram of protein per hour [1]
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| ADME/Pharmacokinetics |
Metabolism/Metabolites The known metabolites of 1,4-cineole include 7-oxabicyclo[2.2.1]heptane-2-ol and 1-methyl-4-(1-methylethyl)-. In vitro microbial metabolism: 1,4-cineole can be metabolized by microbial hydroxylases (from Pseudomonas putida) via hydroxylation. The main metabolic pathway involves adding a hydroxyl group at the 2α or 3α position of the 1,4-cineole ring to generate 2α-hydroxy-1,4-cineole and 3α-hydroxy-1,4-cineole. [1]
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| References | |
| Additional Infomation |
1,4-Cineole is an oxabicycloalkane composed of p-menthane with an epoxy bridge between the 1 and 4 positions. It is a plant metabolite, fumigant, and central nervous system depressant. It is both eucalyptol and oxabicycloalkane.
1,4-Cineole has been reported in Magnolia officinalis, Saccharina japonica, and other organisms with relevant data. See also: Eucalyptol (note moved to). - 1,4-Cineole is a monoterpene ether commonly found in the essential oils of plants such as eucalyptus and sage. Its microbial hydroxylation products (2α-hydroxy-1,4-cineole and 3α-hydroxy-1,4-cineole) have potential applications in the synthesis of fine chemicals and pharmaceutical intermediates [1] |
| Molecular Formula |
C10H18O
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|---|---|
| Molecular Weight |
154.24932
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| Exact Mass |
154.135
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| CAS # |
470-67-7
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| PubChem CID |
10106
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
173.5±8.0 °C at 760 mmHg
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| Melting Point |
−46 °C(lit.)
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| Flash Point |
50.7±15.3 °C
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| Vapour Pressure |
1.7±0.3 mmHg at 25°C
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| Index of Refraction |
1.491
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| LogP |
2.58
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
164
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C12CCC(C)(CC1)O2)C
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| InChi Key |
RFFOTVCVTJUTAD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
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| Chemical Name |
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
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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 : ~125 mg/mL (~810.37 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (13.48 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 (13.48 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (13.48 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 | 6.4830 mL | 32.4149 mL | 64.8298 mL | |
| 5 mM | 1.2966 mL | 6.4830 mL | 12.9660 mL | |
| 10 mM | 0.6483 mL | 3.2415 mL | 6.4830 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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