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| Other Sizes |
| Targets |
N-Phenylacrylamide targets human recombinant Transglutaminase 2 (TG2), an enzyme involved in protein cross-linking and various cellular processes. The compound also shows high affinity for Ochratoxin A, a mycotoxin produced by Aspergillus and Penicillium species. Its binding to Ochratoxin A enables its use in mycotoxin extraction and detection applications.
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|---|---|
| ln Vitro |
N-Phenylacrylamide demonstrates in vitro inhibition of human recombinant Transglutaminase 2 (TG2) with an IC50 of 43 μM (43,000 nM). The compound shows high affinity for Ochratoxin A, making it useful for mycotoxin extraction and food safety research.
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| ln Vivo |
In vivo activity of N-phenylacrylamide is not extensively documented. Its utility as a TG2 inhibitor and Ochratoxin A-binding agent is primarily for in vitro applications in biochemical and food safety research. Further in vivo studies would be needed to evaluate any potential pharmacological effects.
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| Enzyme Assay |
In vitro enzyme assays for N-phenylacrylamide involve measuring its inhibition of human recombinant Transglutaminase 2 (TG2) activity using fluorescent transamidation assays. The compound's binding affinity for Ochratoxin A can be assessed using binding assays such as surface plasmon resonance or fluorescence quenching. IC50 values are determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays for N-phenylacrylamide are not typically performed, as the compound is primarily used in biochemical and analytical applications rather than as a cell-active compound. Its use in mycotoxin extraction involves binding to Ochratoxin A in food samples.
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| Animal Protocol |
In vivo animal experiments for N-phenylacrylamide are not extensively documented. The compound is used in food safety research for mycotoxin extraction. Further studies in animal models of TG2-related diseases could evaluate its therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for N-phenylacrylamide are limited. The compound is a solid with a melting point of 103.0 to 107.0 °C. It should be stored at room temperature in a cool, dark place. Its absorption, distribution, metabolism, and excretion properties have not been characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for N-phenylacrylamide are limited. As a research chemical, comprehensive toxicological studies have not been reported. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
[1]. Zhou S N, et al. N-phenylacrylamide functional polymer with high affinity for ochratoxin A[J]. Reactive and Functional Polymers, 2004, 58(1): 35-42.
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| Additional Infomation |
N-Phenylacrylamide (CAS#: 2210-24-4) has the molecular formula C9H9NO and a molecular weight of 147.17. It is also known as N-phenylprop-2-enamide. Purity is ≥98.0%. The compound is a TG2 inhibitor (IC50 = 43 μM) and binds Ochratoxin A for mycotoxin extraction.
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| Molecular Formula |
C9H9NO
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|---|---|
| Molecular Weight |
147.17
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| Exact Mass |
147.068
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| CAS # |
2210-24-4
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| Related CAS # |
25620-46-6
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| PubChem CID |
221792
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
308.5±15.0 °C at 760 mmHg
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| Melting Point |
103-106ºC(lit.)
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| Flash Point |
177.7±5.3 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.584
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| LogP |
1.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
148
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C([H])=C([H])[H])N([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
BPCNEKWROYSOLT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
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| Chemical Name |
N-phenylprop-2-enamide
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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 : 100 mg/mL (679.49 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 | 6.7949 mL | 33.9743 mL | 67.9486 mL | |
| 5 mM | 1.3590 mL | 6.7949 mL | 13.5897 mL | |
| 10 mM | 0.6795 mL | 3.3974 mL | 6.7949 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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