| Size | Price | Stock | Qty |
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| 25g |
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| 100g |
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| Targets |
4,4-Difluoropiperidine hydrochloride derivatives have anticancer activity against leukemia and pancreatic cancer. The compound is a bromodomain inhibitor that can be used to treat cancer; it has been shown to bind to the bromodomains of the tumour suppressor BRD4 and inhibit cell proliferation by preventing transcription. It is also investigated for potential in treating neurological disorders such as Alzheimer's and Parkinson's disease.
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| ln Vitro |
In vitro, 4,4-difluoropiperidine hydrochloride is primarily used as a chemical reagent and synthetic intermediate. Its derivatives have anticancer activity against leukemia and pancreatic cancer. The compound is used as a key intermediate for developing H3 and orexin receptor antagonists. As a bromodomain inhibitor, it can be used in cell-based assays to study cancer cell proliferation.
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| ln Vivo |
In vivo data for 4,4-difluoropiperidine hydrochloride as a therapeutic agent are limited. Derivatives of this compound have shown anticancer activity and potential for treating neurological disorders. However, specific in vivo efficacy and pharmacokinetic data for the parent compound are not well-documented. Its in vivo relevance is primarily indirect, through the biological activities of its derivatives.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 4,4-difluoropiperidine hydrochloride derivatives are evaluated for binding to bromodomains (e.g., BRD4). Standard protocols involve incubating the compound with recombinant bromodomain proteins and measuring binding affinity using fluorescence polarization (FP) or AlphaScreen assays. IC₅₀ values are calculated from dose-response curves. The compound's ability to inhibit cell proliferation by preventing transcription can be assessed.
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| Cell Assay |
For in vitro cell-based experiments, 4,4-difluoropiperidine hydrochloride derivatives are evaluated for anticancer activity against leukemia and pancreatic cancer cell lines. Cells are seeded in 96-well plates and treated with the compound at various concentrations (typically 0.1-100 µM) for 24-72 hours. Cell viability is assessed using MTT or resazurin-based assays. The compound's ability to inhibit BRD4-mediated transcription can be assessed by measuring target gene expression.
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| Animal Protocol |
In vivo animal studies using 4,4-difluoropiperidine hydrochloride are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For anticancer agents derived from this building block, efficacy studies would typically be performed in mouse xenograft models of leukemia or pancreatic cancer. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of tumor volume over time.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4,4-difluoropiperidine hydrochloride as a standalone compound are not characterized in the literature. The compound has a molecular weight of 157.59 g/mol, which is favorable for oral bioavailability. The fluorine atoms 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 |
4,4-Difluoropiperidine 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. 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 and working in a fume hood.
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| Additional Infomation |
4,4-Difluoropiperidine hydrochloride (CAS 144230-52-4) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for H3 and orexin receptor antagonists and as a precursor for anticancer agents with activity against leukemia and pancreatic cancer. The compound is also investigated for treating neurological disorders. No clinical trials or approved indications exist.
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| Molecular Formula |
C5H10CLF2N
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|---|---|
| Molecular Weight |
157.59
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| Exact Mass |
157.046
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| CAS # |
144230-52-4
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| PubChem CID |
2758351
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| Appearance |
White to light yellow solid powder
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| Density |
1.222g/cm3
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| Boiling Point |
114.3ºC at 760 mmHg
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| Melting Point |
173-177 °C
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| Flash Point |
22.9ºC
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| Vapour Pressure |
0.0964mmHg at 25°C
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| Index of Refraction |
1.472
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| LogP |
2.135
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
74.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl[H].FC1(C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])F
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| InChi Key |
OABUKBBBSMNNPM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H9F2N.ClH/c6-5(7)1-3-8-4-2-5;/h8H,1-4H2;1H
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| Chemical Name |
4,4-difluoropiperidine;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 | 6.3456 mL | 31.7279 mL | 63.4558 mL | |
| 5 mM | 1.2691 mL | 6.3456 mL | 12.6912 mL | |
| 10 mM | 0.6346 mL | 3.1728 mL | 6.3456 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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