| Size | Price | |
|---|---|---|
| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Samples were collected from the liver, heart, kidney, muscle, and adipose tissue (perile and subcutaneous) of six cattle for hydrocarbon composition analysis. Qualitative and quantitative analyses were performed using gas chromatography and gas chromatography-mass spectrometry. Despite varying proportions, a series of homologous n-alkanes with carbon chain lengths ranging from n-C12 to n-C31 were found in all samples. In addition, isoprene hydrocarbons phytane and phyene (phytane-1 and phyene-2) were also identified. (These findings are closely related to human health from consuming hydrocarbon-contaminated meat.) /n-Alkanes/ Transmembrane transport of hydrocarbons is an important and complex process in the biodegradation of hydrocarbons by microorganisms. This study investigated the transport mechanism of (14)-n-octadecane by the alkane-degrading bacterium Pseudomonas genus DG17 using ATP inhibitors and different substrate concentrations. When the concentration of n-octadecane was above 4.54 μmol/L, the transport of (14)-n-octadecane mainly proceeded via a promoted passive mechanism along the intracellular/extracellular substrate concentration gradient. However, when cells were grown under low substrate concentration conditions, the accumulation of intracellular n-octadecane (an energy-dependent process) was significantly reduced under the action of ATP inhibitors, and the accumulation of n-octadecane continued to increase against the concentration gradient. Furthermore, the presence of unlabeled alkanes blocked the transport of 14-n-octadecane only in induced cells, and the transmembrane transport of n-octadecane was specific, with an apparent dissociation constant Kt of 11.27 μmol/L and Vmax of 0.96 μmol/min/mg protein. The results indicate that the transmembrane transport of n-octadecane in Pseudomonas DG17 is related to substrate concentration and ATP level. |
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| Toxicity/Toxicokinetics |
Toxicity Summary
Identification and Uses: Octadecane is a solid n-alkane. It can be used as a solvent, organic synthesis reagent, and calibration standard. Human Exposure and Toxicity: No relevant data are currently available. Animal Studies: Structure-activity relationship studies of pure n-alkanes were conducted in a mouse ear edema model to explore their cumulative stimulatory mechanism. Alkanes were applied twice daily for 4 days. The activity of hexadecane, octadecane, and eicosane decreased sequentially. Ecotoxicity Studies: Acute toxicity tests were conducted on the marine copepod Acartia tonsa. Octadecane concentrations ranged from 9.7 to 3200 mg/L. A 48-hour test showed a 50% mortality rate (LL50 > 3200 mg). Interactions Transmembrane transport of hydrocarbons is an important and complex aspect of microbial biodegradation of hydrocarbons. This study investigated the transport mechanism of (14)C n-octadecane by the alkane-degrading bacterium Pseudomonas genus DG17 using ATP inhibitors and different substrate concentrations. When the n-octadecane concentration was above 4.54 μmol/L, the transport of (14)C n-octadecane was driven by a facilitated passive mechanism following the intracellular/extracellular substrate concentration gradient. However, when cells were grown under low substrate concentration conditions, intracellular accumulation of n-octadecane (an energy-dependent process) was significantly reduced in the presence of ATP inhibitors, and the accumulation of n-octadecane increased against the concentration gradient. Furthermore, the presence of unlabeled alkanes only blocked the transport of 14C-labeled n-octadecane in induced cells, and the transmembrane transport of n-octadecane was specific, with an apparent dissociation constant Kt of 11.27 μmol/L and a maximum transport rate Vmax of 0.96 μmol/min/mg protein. The results showed that the transmembrane transport of n-octadecane by Pseudomonas DG17 was related to substrate concentration and ATP. |
| Additional Infomation |
Octadecylane is a colorless liquid. (NTP, 1992)
Octadecylane is a straight-chain alkane containing 18 carbon atoms. It is a metabolic product of both bacteria and plants. Octadecylane has been reported to be found in tea plants (Camellia sinensis), Madagascar vanilla (Vanilla madagascariensis), and other organisms for which relevant data exists. |
| Molecular Formula |
C18H38
|
|---|---|
| Molecular Weight |
254.4943
|
| Exact Mass |
254.297
|
| CAS # |
593-45-3
|
| Related CAS # |
Octadecane-d38;16416-31-2
|
| PubChem CID |
11635
|
| Appearance |
Needles from alcohol, ether-methanol
Colorless liquid |
| Density |
0.8±0.1 g/cm3
|
| Boiling Point |
316.3±5.0 °C at 760 mmHg
|
| Melting Point |
28 °C
|
| Flash Point |
165.6±0.0 °C
|
| Vapour Pressure |
0.0±0.3 mmHg at 25°C
|
| Index of Refraction |
1.438
|
| LogP |
10.32
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
0
|
| Rotatable Bond Count |
15
|
| Heavy Atom Count |
18
|
| Complexity |
112
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
|
| InChi Key |
RZJRJXONCZWCBN-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
|
| Chemical Name |
octadecane
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
Ethanol : ~25 mg/mL (~98.24 mM)
DMSO : ~5 mg/mL (~19.65 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.82 mM) (saturation unknown) in 10% EtOH + 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 EtOH 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 (9.82 mM) (saturation unknown) in 10% EtOH + 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 EtOH 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 (9.82 mM) (saturation unknown) in 10% EtOH + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: ≥ 0.5 mg/mL (1.96 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 5.0 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 5: ≥ 0.5 mg/mL (1.96 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 5.0 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. Solubility in Formulation 6: ≥ 0.5 mg/mL (1.96 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 5.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9294 mL | 19.6471 mL | 39.2943 mL | |
| 5 mM | 0.7859 mL | 3.9294 mL | 7.8589 mL | |
| 10 mM | 0.3929 mL | 1.9647 mL | 3.9294 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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