| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
|
||
| 25g |
|
||
| Other Sizes |
| Targets |
(R)-3-Fluoropyrrolidine hydrochloride does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is used in the synthesis of hVanin-1 inhibitors (Compound X20) for the research of inflammatory bowel disease. As a chiral fluorinated pyrrolidine, it serves as a building block for various pharmaceuticals and agrochemicals.
|
|---|---|
| ln Vitro |
In vitro, (R)-3-fluoropyrrolidine hydrochloride is primarily used as a chemical reagent and synthetic intermediate. It is used in the synthesis of hVanin-1 inhibitors. As a chiral fluorinated pyrrolidine, it is a valuable building block for the construction of drug-like molecules, particularly those targeting enzymes and receptors where fluorine enhances binding affinity.
|
| ln Vivo |
In vivo activity data for (R)-3-fluoropyrrolidine 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 hVanin-1 inhibitors and other drug candidates that are subsequently evaluated in animal models.
|
| Enzyme Assay |
For in vitro chemical synthesis, (R)-3-fluoropyrrolidine hydrochloride is used as a building block for the preparation of various compounds. Standard protocols involve reacting the compound with appropriate reagents to introduce the fluoropyrrolidine moiety into target molecules. The hydrochloride salt can be neutralized to the free base for further reactions.
|
| Cell Assay |
For in vitro cell-based experiments, (R)-3-fluoropyrrolidine 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.
|
| Animal Protocol |
In vivo animal studies using (R)-3-fluoropyrrolidine hydrochloride are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For hVanin-1 inhibitors derived from this building block, efficacy studies would typically be performed in mouse models of inflammatory bowel disease.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of (R)-3-fluoropyrrolidine hydrochloride as a standalone compound are not characterized in the literature. The compound has a molecular weight of 125.57 g/mol, which is favorable for oral bioavailability. The fluorine atom may influence metabolic stability and lipophilicity.
|
| Toxicity/Toxicokinetics |
(R)-3-Fluoropyrrolidine hydrochloride is a research chemical and should be handled with appropriate laboratory safety precautions. 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.
|
| References | |
| Additional Infomation |
(R)-3-Fluoropyrrolidine hydrochloride (CAS 136725-55-8) 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 hVanin-1 inhibitors for inflammatory bowel disease research and as an intermediate for various pharmaceuticals and agrochemicals.
|
| Molecular Formula |
C4H9CLFN
|
|---|---|
| Molecular Weight |
125.57
|
| Exact Mass |
125.04
|
| CAS # |
136725-55-8
|
| PubChem CID |
2759162
|
| Appearance |
White to light brown solid
|
| Boiling Point |
91ºC at 760 mmHg
|
| Melting Point |
179-186ºC
|
| Flash Point |
8.8ºC
|
| Vapour Pressure |
8.27mmHg at 25°C
|
| LogP |
1.448
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
7
|
| Complexity |
46.8
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
Cl[H].F[C@@]1([H])C([H])([H])N([H])C([H])([H])C1([H])[H]
|
| InChi Key |
LENYOXXELREKGZ-PGMHMLKASA-N
|
| InChi Code |
InChI=1S/C4H8FN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m1./s1
|
| Chemical Name |
(3R)-3-fluoropyrrolidine;hydrochloride
|
| 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 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~796.4 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.91 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 (19.91 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 (19.91 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 | 7.9637 mL | 39.8184 mL | 79.6369 mL | |
| 5 mM | 1.5927 mL | 7.9637 mL | 15.9274 mL | |
| 10 mM | 0.7964 mL | 3.9818 mL | 7.9637 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
