| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not possess a defined pharmacological target. Its primary role is as a synthetic intermediate or building block for more complex molecules. The biological activity of the final compounds into which it is incorporated may be attributed to its structural features, but 3,5-Difluoro-DL-phenylalanine itself is not known to interact with specific receptors or enzymes in a therapeutic context.
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|---|---|
| ln Vitro |
Specific in vitro activity data, such as IC50 values, are not applicable for 3,5-Difluoro-DL-phenylalanine as it is a research building block rather than a pharmacologically active compound. Its utility is demonstrated through its successful incorporation into larger peptide or drug molecules in organic synthesis reactions. The compound's value lies in its chemical properties that enable the synthesis of novel fluorinated analogs for biological testing.
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| ln Vivo |
In vivo activity data are not available for 3,5-Difluoro-DL-phenylalanine as it is not a drug candidate or therapeutic agent. It is not administered to living organisms for pharmacological studies. Its applications are confined to laboratory-based chemical synthesis and research.
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| Enzyme Assay |
Cell-free assays for 3,5-Difluoro-DL-phenylalanine are not applicable as it is not an enzyme inhibitor or receptor ligand. The compound's properties, such as purity and identity, are typically confirmed using standard analytical techniques like High-Performance Liquid Chromatography (HPLC), Nuclear Magnetic Resonance (NMR) spectroscopy, and Mass Spectrometry (MS) to ensure quality for subsequent synthesis steps.
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| Cell Assay |
Cellular experiments involving 3,5-Difluoro-DL-phenylalanine are not conducted as it is not a pharmacologically active compound. Its primary application is as a chemical precursor in organic synthesis rather than in cell-based biological assays.
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| Animal Protocol |
In vivo animal experiments for 3,5-Difluoro-DL-phenylalanine are not conducted as it is not a therapeutic agent or a compound with direct biological activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME), are not applicable for 3,5-Difluoro-DL-phenylalanine as it is a research chemical used in synthesis, not a therapeutic drug. For storage, the powder should be kept at -20°C for up to 3 years or at 4°C for up to 2 years.
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| Toxicity/Toxicokinetics |
Toxicity data for 3,5-Difluoro-DL-phenylalanine are not provided in the available sources. As a fluorinated amino acid derivative, it should be handled with standard laboratory safety precautions. It is intended for research use only and is not for human or veterinary use.
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| Additional Infomation |
3,5-Difluoro-DL-phenylalanine (CAS: 32133-37-2) is a fluorinated analog of the amino acid phenylalanine. Its synonyms include DL-3,5-Difluorophenylalanine. It is primarily used as a building block for the synthesis of fluorinated peptides and other bioactive molecules in medicinal chemistry and drug discovery research. The presence of fluorine atoms can enhance the metabolic stability and membrane permeability of the resulting compounds.
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| Molecular Formula |
C9H9NO2F2
|
|---|---|
| Molecular Weight |
201.17006
|
| Exact Mass |
201.06
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| CAS # |
32133-37-2
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| PubChem CID |
2737045
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
295.1±40.0 °C at 760 mmHg
|
| Melting Point |
269.5-273.5ºC(lit.)
|
| Flash Point |
132.3±27.3 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.536
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| LogP |
1.25
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
|
| Heavy Atom Count |
14
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| Complexity |
203
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
FC1C=C(C=C(C=1)CC(C(=O)O)N)F
|
| InChi Key |
QFGMPXZFCIHYIR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)
|
| Chemical Name |
2-amino-3-(3,5-difluorophenyl)propanoic acid
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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) |
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 | 4.9709 mL | 24.8546 mL | 49.7092 mL | |
| 5 mM | 0.9942 mL | 4.9709 mL | 9.9418 mL | |
| 10 mM | 0.4971 mL | 2.4855 mL | 4.9709 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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