| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| Targets |
poly(ADP-ribose) synthetase ( IC50 = 2 μM )
3-Methoxybenzamide targets poly(ADP-ribose) synthetase (PARP), an enzyme that plays a critical role in the cellular response to DNA damage. By competitively binding to the enzyme's active site, it inhibits the synthesis of poly(ADP-ribose) (PAR) chains, thereby blocking the DNA repair process. This makes it a useful tool for studying the role of PARP in various biological processes, including DNA repair and cell death. |
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| ln Vitro |
3-Methoxybenzamide (0-30 mM) influences septation during both vegetative growth and sporulation through the FtsZ system[1].
3-Methoxybenzamide (3 MB; 0.2 to 0.6 mM) considerably boosts in vitro propagated plants' growth and microtuber formation[2]. In vitro, 3-MBA functions as a competitive inhibitor of PARP with a Ki of less than 2 μM. It also inhibits ADP-ribosyltransferase (ADPRT). In addition to its activity against PARP, it has been shown to inhibit cell division in Bacillus subtilis, indicating antibacterial properties. It also induces apoptosis in certain cell types. In plant biology, it has been used to enhance in vitro plant growth, microtuberization, and transformation efficiency, suggesting effects on plant cell division and development. |
| ln Vivo |
In vivo data for 3-MBA is limited, as it is primarily a research tool for in vitro studies. Its antibacterial activity suggests it could have potential in infection models, but this is not well-documented. Its effects on plant growth have been observed in vitro, but its in vivo effects in whole plants are not detailed. It is not a therapeutic agent.
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| Enzyme Assay |
The inhibitory activity of 3-MBA against PARP is assessed using cell-free enzymatic assays. Recombinant PARP enzyme is incubated with its substrate, NAD⁺, and varying concentrations of the inhibitor. The reaction is monitored, and the inhibition constant (Ki) is calculated from the dose-response data. Its competitive nature can be confirmed by varying the concentration of the substrate.
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| Cell Assay |
Cell Line: ftsZ mutant strains.
Concentration: 0-30 mM. Incubation Time: 30℃ overnight. Result: Changes directly or indirectly the ability of ftsZ to bind or hydrolyze the guanine nucleotide, ultimately leading to the inhibition of Zring formation. The cellular activity of 3-MBA is evaluated in various cell lines. Its effect on cell proliferation and apoptosis can be measured using standard assays like MTT or flow cytometry. Its ability to inhibit PARP activity in cells can be confirmed by measuring the level of PAR formation using immunofluorescence or ELISA. Its antibacterial activity is assessed using standard microbiological assays, such as measuring the minimum inhibitory concentration (MIC) against bacterial cultures. |
| Animal Protocol |
In animal studies, 3-MBA is not commonly used, as it is primarily a research tool for in vitro studies. If used in vivo, it would likely be administered via intraperitoneal (i.p.) or intravenous (i.v.) injection in rodent models to study the effects of PARP inhibition. However, specific studies are not detailed in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-MBA are not extensively documented, as it is a research compound. It is soluble in DMSO, which is useful for in vitro experiments. For any in vivo use, its solubility in suitable vehicles would need to be determined, and pilot PK studies would be required to establish appropriate dosing regimens.
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| Toxicity/Toxicokinetics |
Toxicology data for 3-MBA is not publicly available, as it is a research compound. Its safety profile has not been established in formal toxicology studies. The compound is for research use only and not for human therapeutic applications.
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| References |
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| Additional Infomation |
3-Methoxybenzamide (3-MBA, CAS: 5813-86-5) is a well-established, competitive PARP inhibitor with a Ki of less than 2 μM. It is a valuable research tool for studying the role of PARP in DNA repair and cell death, and its antibacterial properties add to its utility as a chemical probe. Its use in plant research also highlights its versatility as a tool in different biological systems.
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| Molecular Formula |
C8H9NO2
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|---|---|
| Molecular Weight |
151.163
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| Exact Mass |
151.063
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| CAS # |
5813-86-5
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| PubChem CID |
98487
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
280.0±23.0 °C at 760 mmHg
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| Melting Point |
132.5-135.5 °C(lit.)
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| Flash Point |
146.8±18.9 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.546
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| LogP |
0.85
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
147
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
VKPLPDIMEREJJF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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| Chemical Name |
3-methoxybenzamide
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| Synonyms |
3-MBA; 3-Methoxybenzamide
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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 : 30~100 mg/mL (198.5~661.6 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 | 6.6155 mL | 33.0775 mL | 66.1551 mL | |
| 5 mM | 1.3231 mL | 6.6155 mL | 13.2310 mL | |
| 10 mM | 0.6616 mL | 3.3078 mL | 6.6155 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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