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| Other Sizes |
| Targets |
This compound is classified as an alanine derivative that targets pyridine-binding domains in proteins and enzymes. The 4-pyridyl group can engage in hydrogen bonding and cation-pi interactions with active site residues, making it useful for designing enzyme inhibitors or receptor ligands that recognize basic aromatic motifs in drug discovery research.
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| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
As an amino acid derivative, this compound has been commercially used in ergogenic supplement formulations, influencing anabolic hormone secretion, fuel availability during exercise, mental performance under stress, and prevention of exercise-induced muscle damage. These ergogenic properties are recognized as beneficial in dietary supplement development. |
| ln Vivo |
In vivo data for this specific pyridylalanine derivative remain limited, as it is primarily used as a research building block. Related pyridine-containing amino acids have demonstrated antibacterial and enzyme inhibitory activities in animal models, with effects on neurotransmitter receptors and metabolic enzymes when administered in experimental studies.
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| Enzyme Assay |
Cell-free enzyme assays for pyridylalanine derivatives typically involve testing as potential enzyme inhibitors. Compound (0.1-1000 uM) is incubated with purified target enzyme (e.g., kinases, proteases) in appropriate buffer at 37degC for 10-60 minutes, then reaction progress measured by fluorogenic substrate cleavage, ATP consumption, or product formation via spectrophotometry or HPLC.
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| Cell Assay |
Cell-based assays for alanine derivatives are conducted using various cell lines depending on the application (e.g., cancer cells for cytotoxicity, neurons for receptor studies). Cells are seeded in 96-well plates, treated with compound (1-500 uM) for 24-72 hours, then cell viability measured by MTT, WST-1, or resazurin reduction assays. IC50 values are calculated from dose-response curves.
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| Animal Protocol |
Animal studies for pyridylalanine derivatives typically use murine models. Compounds are administered intraperitoneally (10-100 mg/kg) or orally to BALB/c mice or Sprague-Dawley rats. Endpoints may include plasma compound levels by LC-MS/MS, tissue distribution analysis, and biomarker assessment (cytokines, enzymes) in blood or target organs.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of pyridylalanine derivatives likely include moderate oral bioavailability (30-60%), peak plasma concentration at 0.5-2 hours, plasma half-life 2-4 hours due to rapid renal clearance, volume of distribution 0.4-0.8 L/kg, low to moderate plasma protein binding (30-60%), and elimination primarily via urine as parent compound or metabolites.
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| Toxicity/Toxicokinetics |
Toxicological evaluation of pyridine-containing amino acids suggests low to moderate acute toxicity. The pyridine ring may cause mild irritation upon exposure. No significant genotoxicity or organ-specific toxicity has been observed at therapeutic doses. Chronic toxicity data are limited, and the compound is not approved for human therapeutic use.
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| References | |
| Additional Infomation |
This compound has molecular formula C8H12Cl2N2O2 and molecular weight 239.10, with purity up to 99.76%. It appears as an off-white to light yellow solid. The compound is stable at -20degC as powder and at -80degC in solution. It is intended for research use only as an amino acid derivative for peptide synthesis and drug discovery applications.
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| Molecular Formula |
C8H12CL2N2O2
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|---|---|
| Molecular Weight |
239.10
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| Exact Mass |
166.074
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| CAS # |
174096-41-4
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| PubChem CID |
53229900
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
0.736
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
155
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| Defined Atom Stereocenter Count |
1
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| SMILES |
Cl[H].Cl[H].O([H])C([C@@]([H])(C([H])([H])C1C([H])=C([H])N=C([H])C=1[H])N([H])[H])=O
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| InChi Key |
NAMMTAFKUFJMSD-XCUBXKJBSA-N
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| InChi Code |
InChI=1S/C8H10N2O2.2ClH/c9-7(8(11)12)5-6-1-3-10-4-2-6;;/h1-4,7H,5,9H2,(H,11,12);2*1H/t7-;;/m1../s1
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| Chemical Name |
(2R)-2-amino-3-pyridin-4-ylpropanoic acid;dihydrochloride
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1824 mL | 20.9118 mL | 41.8235 mL | |
| 5 mM | 0.8365 mL | 4.1824 mL | 8.3647 mL | |
| 10 mM | 0.4182 mL | 2.0912 mL | 4.1824 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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