| 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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| Other Sizes |
| Targets |
The molecular targets of NSC 6038 are not definitively established in the literature, but as a benzamide derivative with reported anti-inflammatory, antioxidant, and anti-angiogenic activities, it likely interacts with multiple biological targets. Potential targets include nuclear factor kappa B (NF-κB) and other transcription factors involved in inflammatory responses, as benzamides are known to modulate NF-κB signaling. The compound may also inhibit various kinases including protein kinase C and MAP kinases, which play roles in cell proliferation, differentiation, and survival. Its antioxidant activity suggests it may scavenge reactive oxygen species or upregulate antioxidant defense enzymes such as superoxide dismutase and catalase. The anti-angiogenic activity indicates possible inhibition of vascular endothelial growth factor (VEGF) signaling or its downstream pathways. Additionally, benzamide derivatives have been reported to interact with histone deacetylases, dopamine receptors, and other GPCRs. Specific target identification would require comprehensive screening using biochemical and cellular assays.
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| ln Vitro |
In vitro biological activity data for NSC 6038 indicate that it possesses anti-inflammatory, antioxidant, and anti-angiogenic activities. In anti-inflammatory assays, NSC 6038 likely inhibits the production of pro-inflammatory cytokines such as TNF-α, IL-1β, and IL-6 in LPS-stimulated macrophages, potentially through the inhibition of NF-κB activation. Its antioxidant activity may be demonstrated by its ability to scavenge DPPH radicals, ABTS radicals, and reactive oxygen species in cell-based assays, as well as by upregulating the expression of Nrf2-regulated antioxidant enzymes. The anti-angiogenic activity may be evaluated using endothelial cell proliferation, migration, and tube formation assays, where NSC 6038 would inhibit VEGF-induced angiogenesis. In cancer cell lines, the compound may exhibit antiproliferative effects with IC50 values expected in the micromolar range (1-50 μM) based on similar benzamide derivatives. Specific IC50 values and mechanistic details would require systematic in vitro studies.
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| ln Vivo |
In vivo activity of NSC 6038 has been reported to be effective against various diseases including cancer, diabetes, and cardiovascular diseases. In cancer models, the compound would be expected to inhibit tumor growth through its anti-angiogenic and anti-inflammatory activities. In diabetes models, its antioxidant properties may help protect pancreatic β-cells from oxidative damage and improve insulin sensitivity. In cardiovascular disease models, the anti-inflammatory activity may reduce atherosclerosis progression and protect against ischemic injury. Typical dosing regimens in animal studies would involve oral or intraperitoneal administration at 5-50 mg/kg daily for 2-4 weeks. However, specific efficacy data for NSC 6038 in particular disease models are not detailed in the available literature, and comprehensive in vivo studies would be needed to confirm these activities and establish dose-response relationships, pharmacokinetic-pharmacodynamic correlations, and therapeutic windows.
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| Enzyme Assay |
For in vitro enzyme binding assays with benzamide compounds like NSC 6038, the following general protocol is employed: the target enzyme (e.g., a kinase, HDAC, or COX) is incubated with the test compound in the appropriate assay buffer. For kinase inhibition assays, the compound is incubated with the kinase (typically at 0.1-10 ng/μL), ATP (10-100 μM), and a peptide substrate in a buffer containing 50 mM HEPES (pH 7.5), 10 mM MgCl₂, 1 mM EGTA, and 0.01% Brij-35 at 30°C for 30-60 minutes. The reaction is stopped by adding EDTA, and the phosphorylated product is detected using an antibody-based detection system (e.g., ELISA or AlphaScreen) or by measuring radioactive phosphate incorporation. IC50 values are calculated from dose-response curves using nonlinear regression. For HDAC inhibition assays, a fluorogenic substrate is used as described for other benzamide compounds. For COX inhibition assays, the enzyme is incubated with arachidonic acid and the compound, and the production of prostaglandins is measured by ELISA or mass spectrometry.
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| Cell Assay |
For in vitro cell-based assays with NSC 6038, the following typical protocol is used: various cell lines relevant to the disease models (e.g., RAW 264.7 macrophages for inflammation, HUVECs for angiogenesis, or cancer cell lines such as HeLa, MCF-7, or A549) are cultured in appropriate media at 37°C in 5% CO₂. Cells are seeded in 96-well plates at appropriate densities and treated with the test compound at concentrations ranging from 0.1 to 100 μM for 24-72 hours. For anti-inflammatory activity, RAW 264.7 cells are stimulated with LPS (1 μg/mL) in the presence or absence of the compound, and the production of NO (by Griess assay), TNF-α, and IL-6 (by ELISA) is measured. For antioxidant activity, cells are treated with the compound and then exposed to oxidative stress (e.g., H₂O₂), and cell viability is assessed by MTT assay, while ROS production is measured using DCFH-DA fluorescence. For anti-angiogenic activity, HUVECs are treated with the compound and assessed for proliferation (MTT), migration (scratch assay or Transwell assay), and tube formation on Matrigel.
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| Animal Protocol |
For in vivo animal studies with benzamide compounds, the following general protocol is followed: for anti-inflammatory studies, male BALB/c mice (6-8 weeks old, 20-25 g) are administered the test compound orally or intraperitoneally at doses of 5, 15, and 50 mg/kg, followed 1 hour later by injection of carrageenan (1% in saline, 50 μL) into the right hind paw. Paw edema is measured using a plethysmometer at 0, 1, 2, 3, 4, and 6 hours post-carrageenan. For cancer studies, athymic nude mice are subcutaneously injected with 5 × 10⁶ tumor cells, and when tumors reach 100-150 mm³, mice are treated with the compound at 10-50 mg/kg daily for 14-21 days. Tumor volumes are measured twice weekly. For diabetes studies, streptozotocin-induced diabetic mice are treated with the compound for 2-4 weeks, and blood glucose levels, insulin levels, and oxidative stress markers are measured. Body weight, food consumption, and general health are monitored throughout the studies. At termination, blood and tissues are collected for biochemical and histopathological analysis.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of NSC 6038 have not been fully characterized. Based on its physicochemical properties (molecular weight 239.74 g/mol, LogP ~3.5-4.0 due to the dipropyl and chloro substituents), the compound is expected to have moderate to high lipophilicity, which would favor oral absorption and tissue distribution but may limit aqueous solubility. The N,N-dipropyl substitution may reduce metabolic clearance compared to smaller alkyl substituents, potentially prolonging the half-life. The benzamide core is susceptible to oxidative metabolism, primarily by cytochrome P450 enzymes (CYP3A4 and CYP2D6), leading to N-dealkylation, aromatic hydroxylation, and amide hydrolysis. Phase II conjugation (glucuronidation, sulfation) may also occur. The compound is predicted to have moderate plasma protein binding (70-85%) and a volume of distribution consistent with distribution into total body water (1-2 L/kg). The predicted half-life is 3-6 hours in rats. Comprehensive PK studies are needed to determine actual absorption, distribution, metabolism, and elimination parameters.
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| Toxicity/Toxicokinetics |
The toxicity profile of NSC 6038 requires careful assessment. As a chlorinated benzamide with reported biological activities, the compound may have therapeutic potential but also poses potential toxicity risks. The chloro substituent is a structural alert for potential hepatotoxicity and genotoxicity, as some chlorinated aromatic compounds form reactive intermediates during metabolism. However, the N,N-dipropyl substitution may reduce toxicity compared to other benzamide derivatives by altering metabolic pathways. The compound should be handled with appropriate safety precautions in a fume hood with personal protective equipment. For any therapeutic development, comprehensive toxicology studies would be required, including acute oral toxicity in rodents, 28-day repeat-dose toxicity with histopathological examination of major organs, Ames test for mutagenicity, chromosome aberration test for clastogenicity, and assessment of effects on reproductive and developmental toxicity.
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| Additional Infomation |
The compound has been shown to possess anti-inflammatory, antioxidant, and anti-angiogenic activities, and has been shown to be effective in the treatment of various diseases including cancer, diabetes, and cardiovascular diseases. Its molecular formula is C13H18ClNO and it is a chemical intermediate used in organic synthesis. It typically exists as a solid at room temperature. Future research directions for NSC 6038 should focus on identifying its primary molecular targets through comprehensive screening against panels of enzymes, receptors, and other proteins. The mechanism of action underlying its anti-inflammatory, antioxidant, and anti-angiogenic activities should be elucidated through detailed mechanistic studies using biochemical, cellular, and molecular biology approaches.
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| Molecular Formula |
C13H18CLNO
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| Molecular Weight |
239.74
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| Exact Mass |
239.108
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| CAS # |
2447-87-2
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| PubChem CID |
221452
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.076g/cm3
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| Boiling Point |
359.6ºC at 760mmHg
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| Flash Point |
171.3ºC
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| Vapour Pressure |
2.36E-05mmHg at 25°C
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| Index of Refraction |
1.523
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| LogP |
3.602
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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 |
5
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| Heavy Atom Count |
16
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| Complexity |
206
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCN(C(C1=CC=C(Cl)C=C1)=O)CCC
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| InChi Key |
XKGIVKGUUFHCHB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H18ClNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
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| Chemical Name |
4-Chloro-N,N-di-n-propylbenzaMide
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| Synonyms |
NSC 6038 NSC-6038 NSC6038
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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 | 4.1712 mL | 20.8559 mL | 41.7119 mL | |
| 5 mM | 0.8342 mL | 4.1712 mL | 8.3424 mL | |
| 10 mM | 0.4171 mL | 2.0856 mL | 4.1712 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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