| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Targets |
The primary molecular targets of NSC 404988 have not been definitively identified in the published literature. However, as a benzamide derivative, it may interact with various biological targets including enzymes and receptors. Benzamide compounds are known to inhibit certain enzymes such as histone deacetylases (HDACs) by chelating the zinc ion in the active site, thereby modulating gene expression and inducing cell cycle arrest and apoptosis in cancer cells. The chloro substituent may enhance binding affinity through halogen bonding interactions with protein targets. Additionally, benzamides have been reported to interact with dopamine D2 receptors and other G protein-coupled receptors. Given its use in drug metabolism studies, NSC 404988 may serve as a substrate or inhibitor of cytochrome P450 enzymes, particularly CYP3A4 and CYP2D6, which are responsible for the metabolism of many drugs. Specific target identification would require experimental validation through binding assays and functional studies.
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| ln Vitro |
In vitro biological activity data for NSC 404988 are limited in the available literature. However, as a benzamide derivative, it may exhibit various biological activities depending on the target and cell type. Some benzamide compounds have shown antiproliferative activity against cancer cell lines including HeLa, MCF-7, and A549 cells, with IC50 values ranging from 1 to 50 μM. Benzamide HDAC inhibitors, for example, have demonstrated potent activity against various cancer cell lines by inducing histone hyperacetylation and reactivating tumor suppressor genes. The compound may also affect cell cycle progression, inducing G1 or G2/M phase arrest depending on the cellular context. Additionally, benzamide derivatives have been investigated for their antimicrobial and anti-inflammatory activities. Specific IC50 values and mechanistic studies for NSC 404988 would require systematic in vitro screening against relevant cell lines and biological targets.
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| ln Vivo |
In vivo pharmacological data for NSC 404988 are not well-documented. As a chemical intermediate and research compound, it has not been extensively evaluated in animal models for therapeutic applications. However, benzamide derivatives as a class have been studied in various in vivo models. For example, HDAC inhibitors belonging to the benzamide class have shown efficacy in murine xenograft models at doses of 10-50 mg/kg administered intraperitoneally or orally. These compounds typically demonstrate moderate oral bioavailability and tissue distribution. Some benzamides have also been evaluated in models of neurological disorders, given their ability to cross the blood-brain barrier due to their relatively small size and moderate lipophilicity. The specific in vivo profile of NSC 404988, including its pharmacokinetic and pharmacodynamic properties, would need to be determined through dedicated animal studies.
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| Enzyme Assay |
For in vitro enzyme binding assays with benzamide compounds like NSC 404988, the following general protocol is employed: the target enzyme (e.g., HDAC or a cytochrome P450 isoform) is incubated with the test compound in an appropriate buffer system. For HDAC inhibition assays, a fluorogenic substrate such as Boc-Lys(Ac)-AMC is used: the enzyme is incubated with the compound at concentrations ranging from 0.001 to 100 μM in assay buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl₂) at 37°C for 30 minutes. The substrate is then added and incubation continues for 60 minutes, followed by addition of developer solution to stop the reaction and generate fluorescence. Fluorescence is measured at excitation 360 nm and emission 460 nm. IC50 values are calculated from the dose-response curves using nonlinear regression. For P450 inhibition assays, isoform-specific fluorogenic substrates and NADPH-regenerating systems are used, with fluorescence monitored continuously or at end-point.
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| Cell Assay |
For in vitro cell-based assays with benzamide compounds, the following typical protocol is used: cancer cell lines (e.g., HeLa, MCF-7, or HCT-116) are cultured in RPMI-1640 or DMEM medium supplemented with 10% FBS and antibiotics at 37°C in 5% CO₂. Cells are seeded in 96-well plates at 5,000-20,000 cells per well and allowed to adhere overnight. The test compound is prepared as a stock solution in DMSO and diluted in culture medium to final concentrations ranging from 0.01 to 100 μM (final DMSO ≤ 0.1%). After 24, 48, or 72 hours of treatment, cell viability is assessed using the MTT or CellTiter-Glo assay. For apoptosis detection, cells are stained with Annexin V-FITC and propidium iodide and analyzed by flow cytometry. For cell cycle analysis, cells are fixed in 70% ethanol, stained with propidium iodide, and analyzed by flow cytometry. For HDAC activity assessment, cells are lysed and HDAC activity is measured using a fluorogenic substrate, with results normalized to protein concentration.
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| Animal Protocol |
For in vivo animal studies with benzamide compounds, the following general protocol is followed: female athymic nude mice (6-8 weeks old, 18-22 g) are subcutaneously injected with 5 × 10⁶ tumor cells in the flank. When tumors reach approximately 100-150 mm³, mice are randomized into treatment groups (n=6-8 per group). The test compound is formulated in a suitable vehicle such as 0.5% methylcellulose or a mixture of 10% DMSO, 40% PEG400, and 50% saline, and administered by oral gavage at doses of 10, 30, and 100 mg/kg daily for 14-21 days. Tumor volumes are measured twice weekly with calipers. Body weights are monitored for toxicity assessment. At study termination, tumors are excised, weighed, and processed for immunohistochemistry, Western blotting, or gene expression analysis to evaluate target modulation and mechanism of action. For pharmacokinetic studies, blood samples are collected at predetermined time points and plasma concentrations are analyzed by LC-MS/MS.
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| Additional Infomation |
NSC 404988 has a molecular formula of C11H14ClNO and a molecular weight of 211.69 g/mol, with a purity of ≥98%. It is a benzamide-based bioactive compound used in compound synthesis and drug preparation and has applications in drug metabolism studies and metabolite analysis in biological systems. The compound is also known as 4-chloro-N,N-diethylbenzamide and has the IUPAC name 4-chloro-N,N-diethylbenzamide. It is a cyclic acetal that can be used for fluorination reactions and is classified as a chemical intermediate for organic synthesis. Future research could explore its potential as a pharmacological tool compound, its activity against specific enzyme targets, and its utility in the development of more potent benzamide-based therapeutics with improved selectivity and pharmacokinetic properties.
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| Molecular Formula |
C11H14CLNO
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| Molecular Weight |
211.68796
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| Exact Mass |
211.076
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| CAS # |
7461-38-3
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| PubChem CID |
346696
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.115g/cm3
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| Boiling Point |
331.2ºC at 760 mmHg
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| Flash Point |
154.1ºC
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| Index of Refraction |
1.532
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| LogP |
2.822
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
184
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN(CC)C(=O)C1=CC=C(C=C1)Cl
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| InChi Key |
VQIFBGNOSBKNJI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H14ClNO/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
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| Chemical Name |
4-chloro-N,N-diethylbenzamide
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| Synonyms |
NSC 404988NSC404988NSC-404988
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 4.7239 mL | 23.6194 mL | 47.2389 mL | |
| 5 mM | 0.9448 mL | 4.7239 mL | 9.4478 mL | |
| 10 mM | 0.4724 mL | 2.3619 mL | 4.7239 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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