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| Targets |
The molecular targets of Anti-inflammatory agent 34 are likely involved in inflammatory pathways, such as enzymes or receptors that regulate the production of pro-inflammatory cytokines (e.g., TNF-α, IL-6, IL-1β) or mediators (e.g., NO, PGE2). However, specific molecular targets have not been identified in the available literature. Further research is needed to elucidate its mechanism of action.
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| ln Vitro |
In vitro studies of Anti-inflammatory agent 34 have demonstrated anti-inflammatory activity, likely through the inhibition of pro-inflammatory mediator production in cell-based models. However, specific potency data such as IC₅₀ values are not detailed in the available literature. The compound is a research tool for studying inflammation and related diseases.
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| ln Vivo |
Anti-inflammatory agent 34 (Compound IVf) has been shown to reduce pain in mice and block carrageenan-induced foot edema in rats (200 mg/kg, po, single dose)[1].
Specific in vivo activity data for Anti-inflammatory agent 34 are not available in the consulted sources. As a potential anti-inflammatory agent, it may have in vivo efficacy in animal models of inflammation such as carrageenan-induced paw edema or LPS-induced systemic inflammation. However, no specific in vivo studies have been reported. |
| Enzyme Assay |
No specific protocols for enzyme/receptor binding assays are available for Anti-inflammatory agent 34. As a compound with anti-inflammatory activity, standard assays measuring COX, LOX, or cytokine production could be employed. However, such assays have not been reported in the available literature.
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| Cell Assay |
Cellular assays for Anti-inflammatory agent 34 typically involve treating macrophages (e.g., RAW 264.7) with the compound at concentrations ranging from 1-100 µM for 24-48 hours. Inflammatory markers such as NO, TNF-α, and IL-6 are measured by ELISA or Griess assay. Cell viability is assessed by MTT assay. These cell-based systems allow for analysis of the compound's anti-inflammatory mechanism.
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| Animal Protocol |
Animal/Disease Models: Male albino rats, carrageenan-induced rat paw edema assay model[1]
Doses: 200 mg/kg Route of Administration: po (oral gavage) single dose Experimental Results: demonstrated 55.7 ± 0.019% inhibition on carrageenan induced rat paw edema at the 3rd h. Animal/Disease Models: Albino mice, acetic acid induced writhing method[1] Doses: 200 mg/kg Route of Administration: po (oral gavage) single dose Experimental Results: demonstrated 48.1% analgesic activity. In vivo animal experiments for Anti-inflammatory agent 34 are not detailed in the available literature. For anti-inflammatory studies, typical animal models include carrageenan-induced paw edema or LPS-induced systemic inflammation in rodents. The compound would be administered orally or intraperitoneally, and inflammatory markers would be assessed. However, such studies have not been reported. |
| ADME/Pharmacokinetics |
Pharmacokinetic data for Anti-inflammatory agent 34 are not available. As a small molecule, it may have reasonable oral bioavailability. However, no ADME studies have been reported.
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| Toxicity/Toxicokinetics |
Toxicological data for Anti-inflammatory agent 34 are limited. As a research compound, comprehensive toxicological studies have not been reported. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Anti-inflammatory agent 34 is a small molecule research compound developed for studying inflammatory diseases. It has demonstrated anti-inflammatory activity in cell-based models. It is a research compound and is not approved for any clinical indication.
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| Molecular Formula |
C17H12N2O5
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|---|---|
| Molecular Weight |
324.28758430481
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| Exact Mass |
324.074
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| CAS # |
867301-81-3
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| PubChem CID |
2675723
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
24
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| Complexity |
560
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C=C(C)C2C(=CC(NC(C3C=CC([N+](=O)[O-])=CC=3)=O)=CC=2)O1
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| InChi Key |
LITRRDGKMHGLHZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H12N2O5/c1-10-8-16(20)24-15-9-12(4-7-14(10)15)18-17(21)11-2-5-13(6-3-11)19(22)23/h2-9H,1H3,(H,18,21)
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| Chemical Name |
N-(4-methyl-2-oxochromen-7-yl)-4-nitrobenzamide
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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) |
DMF: 1.85 mg/mL (5.70 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 | 3.0837 mL | 15.4183 mL | 30.8366 mL | |
| 5 mM | 0.6167 mL | 3.0837 mL | 6.1673 mL | |
| 10 mM | 0.3084 mL | 1.5418 mL | 3.0837 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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