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| Other Sizes |
| Targets |
N-Phthaloyl-β-alanine does not have a direct biological target as it is used as a hapten in immunoassay development rather than as a pharmacologically active compound. Its function is to serve as a small molecule (hapten) that can be conjugated to a larger carrier protein to elicit an immune response for the production of antibodies. It is designed to present a specific chemical structure to the immune system, not to interact with a specific receptor or enzyme in the body. It is an FX-type hapten without a CH2S moiety.
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| ln Vitro |
N-Phthaloyl-β-alanine is not a pharmacologically active compound and does not possess direct in vitro biological activity against any specific target. Its utility is in the field of immunoassay development as a hapten. In vitro, it is used in conjugation reactions to couple with carrier proteins like OVA using the mixed anhydride method. The resulting hapten-protein conjugate is then used to immunize animals or to screen for antibodies in ELISA assays. The compound itself is not evaluated for biological activity.
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| ln Vivo |
In vivo activity is not applicable to N-Phthaloyl-β-alanine as it is not a pharmacologically active compound. Its use in vivo is limited to its role as a hapten in immunization protocols. When conjugated to a carrier protein, it is injected into animals to generate antibodies against the hapten structure. The compound itself is not administered for therapeutic or pharmacological evaluation. Its purpose is to facilitate the production of specific antibodies for research and diagnostic applications. It is not intended for direct biological activity in vivo.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to N-Phthaloyl-β-alanine as it is a hapten used in immunoassay development rather than a drug candidate. The primary in vitro assay involving this compound is the conjugation reaction to carrier proteins. The mixed anhydride method is used to activate the carboxylic acid group of N-Phthaloyl-β-alanine, allowing it to form an amide bond with free amine groups on proteins like OVA. The success of the conjugation is typically verified by UV spectroscopy or MALDI-TOF mass spectrometry. No receptor binding assays are performed.
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| Cell Assay |
Cell-based assays are not performed on N-Phthaloyl-β-alanine as it is not a cell-active compound. It is a hapten used in immunoassay development. Its evaluation is limited to chemical purity and its ability to conjugate to carrier proteins. The hapten-protein conjugates may be used in cell-based assays to detect antibodies, but the compound itself is not tested in cell culture for efficacy or toxicity. Handling procedures are based on its chemical properties. It is a solid and is stored at room temperature.
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| Animal Protocol |
In vivo animal experiments involving N-Phthaloyl-β-alanine are limited to its use as a hapten for antibody production. The hapten is conjugated to a carrier protein (e.g., OVA) using the mixed anhydride method, and the conjugate is emulsified with an adjuvant and injected into animals (typically rabbits or mice) to generate polyclonal or monoclonal antibodies. The animals are boosted periodically, and blood samples are collected to monitor antibody titers by ELISA. The compound itself is not used in efficacy or pharmacology studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to N-Phthaloyl-β-alanine as it is a research reagent used as a hapten, not a therapeutic agent. The compound is a solid with a molecular weight of 219.19. It is stored as a powder at -20°C for up to three years and at 4°C for up to two years. In solvent, it is stable at -80°C for six months and at -20°C for one month. It is used in chemical conjugation reactions. No ADME studies have been performed.
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| Toxicity/Toxicokinetics |
Toxicological data for N-Phthaloyl-β-alanine are not available as it is a research chemical, not a pharmaceutical drug. Standard laboratory safety precautions for handling chemical reagents should be followed. The compound is not intended for human or animal consumption. Its specific toxicity profile has not been established. In the context of hapten-carrier conjugates used for immunization, the conjugates are administered to animals, but the toxicity is typically associated with the adjuvant and the immune response rather than the hapten itself.
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| References | |
| Additional Infomation |
N-Phthaloyl-β-alanine is a hapten used in immunoassay development. Its molecular formula is C11H9NO4, and its molecular weight is 219.19. It is also known as 3-phthalimidopropionic acid. It has been used in the development of monoclonal ELISAs for pesticides such as azinphos-methyl. It is an FX-type hapten without a CH2S moiety and has more heterologous properties. It is commercially available for research use only.
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| Molecular Formula |
C11H9NO4
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|---|---|
| Molecular Weight |
219.19
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| Exact Mass |
219.053
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| CAS # |
3339-73-9
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| PubChem CID |
76859
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| Appearance |
White to off-white solid powder
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| Density |
1.448 g/cm3
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| Boiling Point |
423.4ºC at 760 mmHg
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| Melting Point |
151 °C
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| Flash Point |
209.8ºC
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| LogP |
0.695
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
315
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)O
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| InChi Key |
DXXHRZUOTPMGEH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H9NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-4H,5-6H2,(H,13,14)
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| Chemical Name |
3-(1,3-dioxoisoindol-2-yl)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) |
Typically soluble in DMSO (e.g. 10 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 | 4.5623 mL | 22.8113 mL | 45.6225 mL | |
| 5 mM | 0.9125 mL | 4.5623 mL | 9.1245 mL | |
| 10 mM | 0.4562 mL | 2.2811 mL | 4.5623 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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