| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
H-β-Ala-Ome.HCl does not have a specific biological receptor target. Its primary application is as a building block in peptide synthesis and organic chemistry. It may be utilized in the preparation/synthesis of bidentate pyridine ligands. The methyl ester provides C-terminal protection that can be selectively hydrolyzed under basic conditions.
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|---|---|
| ln Vitro |
In vitro activity for H-β-Ala-Ome.HCl is primarily as a peptide synthesis reagent. 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. H-β-Ala-Ome.HCl itself is not directly biologically active; its utility is in preparing β-alanine-containing compounds for subsequent biological evaluation.
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| ln Vivo |
In vivo activity data for H-β-Ala-Ome.HCl as a standalone compound is not applicable. It is a protected amino acid ester used exclusively as a research building block and is not intended for direct in vivo administration. Compounds synthesized using this building block may be evaluated in animal models for various biological activities after the methyl ester protecting group is removed.
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| Enzyme Assay |
In vitro synthetic protocols for H-β-Ala-Ome.HCl involve its use as a building block in peptide synthesis and organic chemistry. The compound can be coupled to other molecules using standard coupling chemistry. The methyl ester can be hydrolyzed under basic conditions. Purity is ≥98.0%.
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| Cell Assay |
Cell-based protocols are not directly applicable to H-β-Ala-Ome.HCl as it is a protected amino acid derivative and not typically used in cell culture. β-Alanine-containing compounds synthesized using this reagent can be tested in cell culture after deprotection and purification. Compounds are dissolved in DMSO or appropriate buffers and added to cells at concentrations of 0.1-100 µM for 24-72 hours.
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| Animal Protocol |
Animal studies with H-β-Ala-Ome.HCl are not conducted directly. Compounds containing β-alanine residues synthesized using this building block may be evaluated in vivo. Protocols involve administration of the compound via appropriate routes in animal models. Pharmacokinetic sampling, efficacy assessment, and toxicological evaluation follow standard preclinical study designs.
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| ADME/Pharmacokinetics |
H-β-Ala-Ome.HCl has a molecular weight of 139.58 g/mol, a formula of C4H9NO2·HCl, and a CAS number of 3196-73-4. It has a melting point of 102-105°C and appears as a white crystalline powder. It is typically stored at room temperature.
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| Toxicity/Toxicokinetics |
Toxicological data for H-β-Ala-Ome.HCl is not extensively reported. The compound is for research use only and is not intended for human therapeutic use. Standard safety precautions for handling protected amino acids should be observed. No specific toxicity studies have been reported.
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| References | |
| Additional Infomation |
H-β-Ala-Ome.HCl has a CAS number of 3196-73-4. It is the methyl ester of β-alanine hydrochloride, used in peptide synthesis and as an intermediate in organic chemistry. It has no approved therapeutic indications.
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| Molecular Formula |
C4H10CLNO2
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|---|---|
| Molecular Weight |
139.5807
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| Exact Mass |
139.04
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| CAS # |
3196-73-4
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| PubChem CID |
2734767
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| Appearance |
White to off-white powder
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| Density |
1.013g/cm3
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| Boiling Point |
151.8ºC at 760mmHg
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| Melting Point |
103-105 °C
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| Flash Point |
26.5ºC
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| LogP |
1.01
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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 |
3
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| Heavy Atom Count |
8
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| Complexity |
62.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(OC)CCN.[H]Cl
|
| InChi Key |
XPGRZDJXVKFLHQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
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| Chemical Name |
methyl 3-aminopropanoate;hydrochloride
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| Synonyms |
β-Alanine methyl ester hydrochloride; Methyl 3-aminopropanoate hydrochloride; H-β-Ala-Ome.HCl
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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 : ~100 mg/mL (~716.44 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.91 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (17.91 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (17.91 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.1644 mL | 35.8218 mL | 71.6435 mL | |
| 5 mM | 1.4329 mL | 7.1644 mL | 14.3287 mL | |
| 10 mM | 0.7164 mL | 3.5822 mL | 7.1644 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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