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| Other Sizes |
| Targets |
(S)-3-Fluoropyrrolidine hydrochloride is used as a building block for the synthesis of dipeptidyl peptidase IV (DPP-IV) inhibitors for type 2 diabetes. DPP-IV is a serine exopeptidase that degrades incretin hormones, and its inhibition increases insulin secretion. The compound is also used in the synthesis of fluorinated pyrrolidine derivatives of cyclohexylglycine amides as potential DPP-IV inhibitors.
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| ln Vitro |
In vitro, (S)-3-fluoropyrrolidine hydrochloride is primarily used as a chemical reagent and synthetic intermediate. It is employed as a building block for the preparation of fluorinated pyrrolidine derivatives of cyclohexylglycine amides as potential inhibitors for DPP-IV. The compound is used in the synthesis of various pharmaceuticals, particularly those targeting neurological disorders. It is a key building block in the synthesis of various biologically active compounds.
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| ln Vivo |
In vivo activity data for (S)-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 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 it.
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| Enzyme Assay |
For in vitro enzyme inhibition assays, (S)-3-fluoropyrrolidine hydrochloride is used as a building block for the synthesis of DPP-IV inhibitors. The final compounds are evaluated for DPP-IV inhibitory activity using standard enzyme assays. Recombinant DPP-IV enzyme is incubated with the test compound and a fluorogenic substrate, and enzyme activity is measured. The compound itself is not typically evaluated in enzyme assays.
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| Cell Assay |
For in vitro cell-based experiments, (S)-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 and diluting to working concentrations.
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| Animal Protocol |
In vivo animal studies using (S)-3-fluoropyrrolidine hydrochloride are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For DPP-IV inhibitors for type 2 diabetes derived from this building block, efficacy studies would typically be performed in mouse or rat models of 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 (S)-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 very favorable for oral bioavailability. The hydrochloride salt form enhances aqueous solubility. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
(S)-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 should be stored under appropriate conditions. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment.
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| Additional Infomation |
(S)-3-Fluoropyrrolidine hydrochloride ((S)-(+)-3-Fluoropyrrolidine hydrochloride, CAS 136725-53-6) is primarily a research-grade chiral building block, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for the synthesis of DPP-IV inhibitors for type 2 diabetes and in the development of drugs targeting neurological disorders. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C4H9CLFN
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|---|---|
| Molecular Weight |
125.57
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| Exact Mass |
125.04
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| CAS # |
136725-53-6
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| PubChem CID |
16217739
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| Appearance |
White to off-white solid powder
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| Boiling Point |
91ºC at 760mmHg
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| Melting Point |
183-187 °C(lit.)
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| Flash Point |
8.8ºC
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| LogP |
1.448
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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 |
7
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| Complexity |
46.8
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| Defined Atom Stereocenter Count |
1
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| SMILES |
Cl[H].F[C@]1([H])C([H])([H])N([H])C([H])([H])C1([H])[H]
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| InChi Key |
LENYOXXELREKGZ-WCCKRBBISA-N
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| InChi Code |
InChI=1S/C4H8FN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
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| Chemical Name |
(3S)-3-fluoropyrrolidine;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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 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.
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