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| Other Sizes |
| Targets |
Afalanine does not have a single well-defined molecular target but exhibits antidepressant activity. As an endogenous metabolite of an endophytic fungus, it may interact with neurotransmitter systems involved in mood regulation. Its mechanism of action may involve modulation of monoaminergic neurotransmission, similar to other antidepressant agents. It can be used in combination with antibiotics to prevent renal damage.
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| ln Vitro |
In vitro, afalanine has been characterized as an endogenous metabolite with antidepressant activity. Its activity has been studied in cellular models of depression and neuroprotection. The compound's ability to prevent renal damage in combination with antibiotics has also been investigated. However, specific in vitro activity data are limited in publicly available sources.
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| ln Vivo |
In vivo, afalanine is an antidepressive drug. It has been shown to have antidepressant activity in animal models. Afalanine can be used in combination with antibiotics to prevent renal damage. The compound's in vivo effects are consistent with its classification as an antidepressant. However, detailed in vivo efficacy data from specific animal models are limited in publicly available sources.
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| Enzyme Assay |
In non-cell-based biochemical assays, afalanine is evaluated using standard biochemical methods. Its purity is assessed using HPLC. Its solubility and other physicochemical properties are characterized. The compound may be used as a substrate or inhibitor in enzyme assays, particularly those involving amino acid metabolism or acetylation. Its antidepressant activity may be assessed in biochemical assays related to neurotransmitter metabolism.
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| Cell Assay |
In vitro cellular assays for afalanine involve testing its effects on cultured neurons or other cell types relevant to depression and neuroprotection. Cells are treated with varying concentrations of afalanine, and endpoints such as cell viability, neurotransmitter uptake, and signaling pathway activation are measured. The compound's ability to prevent renal damage in combination with antibiotics is also studied in cellular models of kidney injury.
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| Animal Protocol |
In vivo animal studies for afalanine have been conducted in models of depression and renal injury. The compound is typically administered via oral or intraperitoneal routes, and its effects on behavior (such as forced swim test or tail suspension test) and renal function are assessed. Afalanine can be used in combination with antibiotics to prevent renal damage. However, specific protocols and detailed data are limited.
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| ADME/Pharmacokinetics |
Afalanine has a molecular weight of 207.23 and a molecular formula of C11H13NO3. It is an endogenous metabolite of an endophytic fungus. It exists in two enantiomeric forms. The compound is an antidepressive drug. Detailed pharmacokinetic parameters such as half-life, bioavailability, and clearance are not extensively reported in publicly available sources.
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| Toxicity/Toxicokinetics |
As a research compound and antidepressive drug, afalanine should be handled with appropriate safety precautions. Comprehensive toxicology studies have not been extensively published, but the compound is generally considered safe for laboratory use. It should be stored and handled in accordance with standard laboratory safety guidelines. Its safety profile is consistent with that of other amino acid derivatives.
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| Additional Infomation |
N-acetylphenylalanine is an N-acetyl derivative of phenylalanine. It has antidepressant effects and is also a metabolite. It is an N-acetyl amino acid and a derivative of phenylalanine. N-acetylphenylalanine has been reported to exist in both fruit flies and brewer's yeast, and relevant data are available.
Afalanine (N-Acetyl-DL-phenylalanine) is a non-proteinogenic amino acid derived from phenylalanine. It is an endogenous metabolite of an endophytic fungus with antidepressant activity. Afalanine is an antidepressive drug and can be used in combination with antibiotics to prevent renal damage. It exists in two enantiomeric forms, L-afalanine and D-afalanine. Afalanine is a research compound and is not an approved drug in all regions. |
| Molecular Formula |
C11H13NO3
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|---|---|
| Molecular Weight |
207.23
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| Exact Mass |
207.089
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| CAS # |
2901-75-9
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| PubChem CID |
2000
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
453.9±38.0 °C at 760 mmHg
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| Melting Point |
154 °C
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| Flash Point |
228.3±26.8 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.548
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| LogP |
0.78
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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 |
4
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| Heavy Atom Count |
15
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| Complexity |
234
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(C([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C(C([H])([H])[H])=O)=O
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| InChi Key |
CBQJSKKFNMDLON-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
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| Chemical Name |
Alanine, N-acetyl-3-phenyl-, DL- (8CI)
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| Synonyms |
Afalanine NSC-43242 NSC43242NSC 43242
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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) |
DMSO : ≥ 30 mg/mL (~144.77 mM)
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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 | 4.8256 mL | 24.1278 mL | 48.2556 mL | |
| 5 mM | 0.9651 mL | 4.8256 mL | 9.6511 mL | |
| 10 mM | 0.4826 mL | 2.4128 mL | 4.8256 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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