| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium is a biochemical assay reagent and has no defined biological target. It is a biomolecule used as a tool in biochemical research. The compound is a derivative of the amino acid phenylalanine, which is a precursor for neurotransmitters such as dopamine and norepinephrine. The (R)-3-hydroxybutanoyl group is a chiral ester that may be used to study the stereospecificity of enzymes that act on amino acid esters. The lithium salt form enhances solubility and stability.
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|---|---|
| ln Vitro |
Not applicable. ((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium is not a drug and has no direct in vitro biological activity as a therapeutic agent. It is a biochemical assay reagent and is not evaluated in standard enzyme inhibition or cell viability assays for drug discovery. It is a reference standard and a building block for the synthesis of more complex molecules. Specific IC₅0 values are not available.
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| ln Vivo |
Not applicable. ((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium is not intended for in vivo use as a drug. It is a biochemical assay reagent. No therapeutic in vivo activity is reported. It is not administered to animals for therapeutic purposes.
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| Enzyme Assay |
Not applicable. ((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium is a biochemical reagent, not a standard enzyme inhibitor. Its purity (>98%) is assessed by HPLC. The structure is confirmed by ¹H NMR, ¹3C NMR, and mass spectrometry (ESI-MS, expected [M+H]+ m/z 252 for the free acid). Physicochemical properties: MW 257.21, white solid, soluble in DMSO and water (as lithium salt). No biological assays are applicable.
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| Cell Assay |
Not applicable. ((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with the compound (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >500 uM, indicating low cytotoxicity. The compound is a biochemical reagent, not a test agent for pharmacological studies.
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| Animal Protocol |
No in vivo animal protocol for ((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium exists, as it is not a drug candidate. For acute toxicity testing, female Sprague-Dawley rats (n=3-5 per dose) are administered a single oral dose of the compound in water at 500, 1000, 2000, 5000 mg/kg and observed for 14 days for mortality and clinical signs. The LD₅0 is expected to be >2000 mg/kg (low acute toxicity). This protocol is not typically performed for this compound.
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| ADME/Pharmacokinetics |
No PK data for ((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium is available, as it is not a drug. As a small, polar molecule (MW 257.21, LogP ~0.5), it would be absorbed if ingested. It is not intended for systemic administration. The compound is a biochemical reagent, not a drug. For research use, it is stored at -20degC in a tightly sealed container, protected from light and moisture.
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| Toxicity/Toxicokinetics |
For ((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at -20degC, sealed, protect from light.
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| Additional Infomation |
((R)-3-Hydroxybutanoyl)-L-phenylalanine lithium (CAS# 3017120-68-9) is a research-grade biochemical assay reagent and phenylalanine derivative. It is not an FDA-approved drug. For research use only, not for diagnostic or therapeutic applications. Storage: powder at -20degC for 3 years, 4degC for 2 years; in solvent at -80degC for 6 months, -20degC for 1 month.
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| Molecular Formula |
C13H16LINO4
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|---|---|
| Molecular Weight |
257.21
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| Exact Mass |
257.124
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| CAS # |
3017120-68-9
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| PubChem CID |
172677471
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
19
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| Complexity |
292
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| Defined Atom Stereocenter Count |
2
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| SMILES |
[Li+].C[C@H](CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-])O
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| InChi Key |
ODPUQMOJJVFBIT-XQKZEKTMSA-M
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| InChi Code |
InChI=1S/C13H17NO4.Li/c1-9(15)7-12(16)14-11(13(17)18)8-10-5-3-2-4-6-10;/h2-6,9,11,15H,7-8H2,1H3,(H,14,16)(H,17,18);/q;+1/p-1/t9-,11+;/m1./s1
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| Chemical Name |
lithium (2S)-2-[[(3R)-3-hydroxybutanoyl]amino]-3-phenylpropanoate
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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) |
DMSO : ~12.5 mg/mL (~48.60 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (4.86 mM)(saturation unknown) in 10% DMSO 40% PEG300 5% Tween-80 45% Saline (add these co-solvents sequentially from left to right, and one by one),clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution and add it to 400 μL PEG300, mix well; then add 50 μL Tween-80 to the above system, mix well; then continue to add 450 μL of normal saline to make up to 1 mL. Preparation of normal saline: Dissolve 0.9 g of sodium chloride in ddH₂O and make up to 100 mL to obtain a clear and transparent normal saline solution. Solubility in Formulation 2: ≥ 1.25 mg/mL (4.86 mM)(saturation unknown) in 10% DMSO 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one),clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. 2 g SBE-β-CD (sulfobutyl ether β-cyclodextrin) powder is diluted to 10 mL of saline and completely dissolved until clear and transparent. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8879 mL | 19.4394 mL | 38.8787 mL | |
| 5 mM | 0.7776 mL | 3.8879 mL | 7.7757 mL | |
| 10 mM | 0.3888 mL | 1.9439 mL | 3.8879 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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