| Size | Price | Stock | Qty |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
3-Fluoroazetidine hydrochloride does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is used in the preparation of fluorinated lysine derivatives as dipeptidyl peptidase IV (DPP-IV) inhibitors. DPP-IV is a serine exopeptidase that degrades incretin hormones, and its inhibition is a validated target for type 2 diabetes therapy. The fluorine atom can improve metabolic stability and bioavailability.
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| ln Vitro |
In vitro, 3-fluoroazetidine hydrochloride is primarily used as a chemical reagent and synthetic intermediate. It is used in the preparation of fluorinated lysine derivatives as DPP-IV inhibitors. As a fluorinated azetidine, it is a valuable building block for the introduction of the fluoroazetidine moiety into drug molecules. The compound is also used in agrochemical and dyestuff synthesis.
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| ln Vivo |
In vivo activity data for 3-fluoroazetidine hydrochloride itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of DPP-IV inhibitors and other drug candidates that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from its azetidine scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, 3-fluoroazetidine hydrochloride is used as a building block for the preparation of various compounds. The azetidine nitrogen can be alkylated or acylated. The hydrochloride salt can be neutralized to the free base for further reactions. The fluorine atom at the 3-position can influence the reactivity and properties of derived compounds. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions.
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| Cell Assay |
For in vitro cell-based experiments, 3-fluoroazetidine hydrochloride is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using 3-fluoroazetidine hydrochloride are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For DPP-IV inhibitors derived from this building block, efficacy studies would typically be performed in mouse or rat models of type 2 diabetes. Standard in vivo protocols involve oral administration to rodents, with measurement of blood glucose levels and DPP-IV activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-fluoroazetidine hydrochloride as a standalone compound are not characterized in the literature. The compound has a molecular weight of 111.55 g/mol, which is very favorable for oral bioavailability. The fluorine atom may influence metabolic stability and lipophilicity. The hydrochloride salt form enhances aqueous solubility. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
3-Fluoroazetidine hydrochloride is classified with hazard statement H312: Harmful in contact with skin. As a hydrochloride salt, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values and acute toxicity classifications are available from safety data sheets. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
3-Fluoroazetidine hydrochloride (CAS 617718-46-4) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for the synthesis of fluorinated lysine derivatives as DPP-IV inhibitors and as an intermediate in organic synthesis, pharmaceuticals, and agrochemicals. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C3H7CLFN
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|---|---|
| Molecular Weight |
111.55
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| Exact Mass |
111.025
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| CAS # |
617718-46-4
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| PubChem CID |
10125054
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| Appearance |
White to off-white solid powder
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| Boiling Point |
59.3ºC at 760 mmHg
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| Melting Point |
130 °C
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| LogP |
1.058
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
6
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| Complexity |
33.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl.FC1CNC1
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| InChi Key |
PXFUWRWCKSLCLS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C3H6FN.ClH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H
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| Chemical Name |
3-fluoroazetidine;hydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (~896.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (22.41 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (22.41 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 3: ≥ 2.5 mg/mL (22.41 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.9646 mL | 44.8229 mL | 89.6459 mL | |
| 5 mM | 1.7929 mL | 8.9646 mL | 17.9292 mL | |
| 10 mM | 0.8965 mL | 4.4823 mL | 8.9646 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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