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| Other Sizes |
| Targets |
The primary target of 1-Fluoronaphthalene is related to its use as a synthetic intermediate for LY248686, a potent inhibitor of serotonin and noradrenaline uptake. LY248686 is a serotonin and norepinephrine reuptake inhibitor (SNRI), a class of antidepressants that target the serotonin transporter (SERT) and norepinephrine transporter (NET). 1-Fluoronaphthalene itself is not a direct pharmacological agent but serves as a building block for the synthesis of this therapeutic compound. The compound's fluorinated naphthalene structure allows for various chemical transformations to generate bioactive molecules. It is also used in the synthesis of 6-substituted phenanthridines, which have diverse biological activities.
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| ln Vitro |
1-Fluoronaphthalene (3 mg, 24 h) can be oxidized by C.elegans ATCC 36112 to produce trans-3,4-dihydroxy-3,4-dihydro-1-fluoronaphthalene and trans-5,6-dihydroxy-5,6 -dihydro-1-fluoronaphthalene. Additionally, these phenols can be conjugated to glucosides, sulfates, and glucuronides[1].
In vitro studies of 1-Fluoronaphthalene have focused primarily on its role as a chemical intermediate rather than a direct pharmacological agent. The compound has been used in t-BuLi-mediated synthesis of 6-substituted phenanthridines. It serves as a precursor for the synthesis of LY248686, a potent SNRI. As an organofluorine compound, its reactivity and stability have been characterized in various chemical reactions. The compound's fluorine substituent provides unique electronic properties that influence its reactivity and the properties of its derivatives. These in vitro studies provide foundational data for understanding the compound's utility in pharmaceutical synthesis. |
| ln Vivo |
In vivo studies of 1-Fluoronaphthalene are not well documented, as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. The compound's primary significance is as a precursor for LY248686, which has been studied in vivo as a potential antidepressant. The metabolism of 1-Fluoronaphthalene would follow standard pathways for fluorinated aromatic compounds. Its use in the synthesis of phenanthridines suggests potential applications in the development of compounds with biological activities. Further research is needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 1-Fluoronaphthalene typically involve testing its activity as a chemical intermediate or its potential to interact with biological targets. For the synthesis of LY248686, the compound's reactivity and purity are assessed using analytical chemistry methods. For serotonin and norepinephrine transporter inhibition studies, the final compound LY248686 would be evaluated using radioligand binding assays or functional uptake assays. The compound's fluorinated nature allows for detection using ¹⁹F nuclear magnetic resonance spectroscopy or fluorine-specific analytical methods. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for 1-Fluoronaphthalene are limited, as the compound is primarily used as a chemical intermediate. For the evaluation of its derivatives such as LY248686, serotonin and norepinephrine uptake assays are performed using neuronal cell lines expressing the transporters. Cells are treated with the compound or its derivatives and neurotransmitter uptake is measured using radiolabeled substrates. Cell viability is assessed using MTT or similar colorimetric assays to ensure that observed effects are not due to cytotoxicity. For phenanthridine derivatives, various cell-based assays may be employed depending on the biological activity being studied. All experiments are performed with appropriate controls to ensure statistical reliability.
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| Animal Protocol |
In vivo animal experiments for 1-Fluoronaphthalene are not well documented, as the compound is primarily used as a chemical intermediate. The compound's derivative LY248686 has been studied in animal models of depression to evaluate its serotonin and norepinephrine reuptake inhibition properties. In such studies, animals are administered the compound and behavioral, biochemical, and physiological parameters are assessed. For toxicology studies, animals may be exposed to 1-Fluoronaphthalene to evaluate its safety profile. Parameters assessed include body weight, food consumption, general health, and clinical observations. Blood and tissue samples are collected for biochemical analysis and histopathological examination. All procedures must comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 1-Fluoronaphthalene reflect its nature as a small fluorinated aromatic compound. It has a molecular weight of 146.16 and is a colorless to yellow liquid. The compound's fluorinated nature provides unique properties that influence its lipophilicity and metabolic stability. As a small lipophilic molecule, it can cross biological membranes readily. The compound is expected to be metabolized through standard xenobiotic pathways in the liver. Its use as a chemical intermediate suggests it may be handled and processed under controlled conditions. Complete pharmacokinetic profiling would require further systematic studies using appropriate analytical methods such as gas chromatography-mass spectrometry.
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| Toxicity/Toxicokinetics |
The toxicity profile of 1-Fluoronaphthalene has been evaluated in the context of its use as a research chemical. As an organofluorine compound, it may have unique toxicological properties. The compound's fluorinated aromatic structure may affect its metabolism and elimination. Proper handling procedures including use of fume hoods and personal protective equipment are recommended when working with the compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile for pharmaceutical applications. The compound's use in the synthesis of pharmaceutical compounds indicates that it is handled under controlled conditions with appropriate safety measures.
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| References | |
| Additional Infomation |
1-Fluoronaphthalene occurs as needle-like crystals. (NTP, 1992)
1-Fluoronaphthalene (CAS# 321-38-0) is also known as fluoro naphthalene. It has a purity of 99.7% for research grade material. The compound is an organofluorine compound derived from naphthalene derivatives and fluorinated aromatics. It can be used to synthesize LY248686, a potent inhibitor of serotonin and noradrenaline uptake. It is also used in t-BuLi-mediated synthesis of 6-substituted phenanthridines. The compound is a colorless to yellow liquid. It serves as a building block in organic synthesis and pharmaceutical research. The compound is intended for research use only. |
| Molecular Formula |
C10H7F
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|---|---|
| Molecular Weight |
146.16
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| Exact Mass |
146.053
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| CAS # |
321-38-0
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| PubChem CID |
9450
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| Appearance |
Colorless to yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
215.0±0.0 °C at 760 mmHg
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| Melting Point |
16 °F (NTP, 1992)
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| Flash Point |
65.6±0.0 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.606
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| LogP |
3.5
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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 |
0
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| Heavy Atom Count |
11
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| Complexity |
133
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1=CC=CC2=C1C=CC=C2
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| InChi Key |
CWLKTJOTWITYSI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
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| Chemical Name |
1-fluoronaphthalene
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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 (684.18 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 | 6.8418 mL | 34.2091 mL | 68.4182 mL | |
| 5 mM | 1.3684 mL | 6.8418 mL | 13.6836 mL | |
| 10 mM | 0.6842 mL | 3.4209 mL | 6.8418 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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