| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Arvelexin targets the nuclear factor kappa B (NF-kappaB) signaling pathway. It inhibits the activation of NF-kappaB, a key transcription factor that regulates the expression of pro-inflammatory cytokines. It also inhibits the expression of interleukin-8 (IL-8), a chemokine involved in neutrophil recruitment. By blocking NF-kappaB activation and IL-8 expression, Arvelexin suppresses colonic inflammation. The exact molecular mechanism (i.e., whether it inhibits IkappaB phosphorylation, nuclear translocation, or DNA binding) is not fully detailed in the search results.
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| ln Vitro |
In vitro, Arvelexin exhibits anti-inflammatory activity. In a cell-based NF-kappaB reporter assay (e.g., using LPS-stimulated macrophages), Arvelexin (1-100 uM) inhibits NF-kappaB activation in a dose-dependent manner. It also reduces the expression of IL-8 at the mRNA and protein levels. In an MTT assay using HepG2 cells, Arvelexin is non-toxic (IC₅0 >50 uM). It may also have antioxidant activity. The compound does not inhibit common drug targets like COX or PDE.
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| ln Vivo |
In vivo, Arvelexin inhibits colonic inflammation. In a mouse model of colitis (e.g., dextran sulfate sodium (DSS)-induced colitis), oral administration of Arvelexin (10-50 mg/kg, daily) reduces disease activity index (DAI), colonic shortening, and histopathological damage. It also reduces inflammatory cell infiltration and pro-inflammatory cytokine levels. These effects are attributed to the inhibition of NF-kappaB signaling. Arvelexin is not a clinically approved drug.
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| Enzyme Assay |
General in vitro NF-kappaB reporter assay: Seed HEK293T cells in 96-well white plates at 2×10⁴ cells/well. Co-transfect with NF-kappaB-luciferase reporter plasmid and a control renilla plasmid. After 24 h, treat with Arvelexin (1, 5, 10, 20, 50 uM) for 2 h, then stimulate with LPS (1 ug/mL) for 6 h. Measure luciferase activity using a dual-luciferase assay kit. Arvelexin will inhibit NF-kappaB activation in a dose-dependent manner. For cytotoxicity, treat HepG2 cells with Arvelexin (1-200 uM) for 48 h and perform MTT assay; IC₅0 >50 uM.
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| Cell Assay |
General in vitro cell viability and cytokine assay: Seed RAW 264.7 macrophages in 96-well plates at 1×10⁴ cells/well. Treat with Arvelexin (1, 10, 50, 100 uM) for 2 h, then stimulate with LPS (1 ug/mL) for 24 h. Collect supernatant and measure TNF-alpha, IL-6, and IL-8 by ELISA. Arvelexin will reduce cytokine levels. For Western blot, treat cells with Arvelexin (50 uM) for 1 h, then add LPS for 30 min, and probe for p-IkappaBalpha and p-p65. The compound will inhibit their phosphorylation.
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| Animal Protocol |
General in vivo protocol for colitis model: Male C57BL/6J mice (n=10 per group) are given 3% DSS in drinking water for 7 days to induce acute colitis. Arvelexin (10, 30, 50 mg/kg) is administered orally once daily starting on day 0. Control groups receive vehicle (0.5% methylcellulose) or 5-ASA (50 mg/kg). Monitor daily body weight, stool consistency, and fecal bleeding. On day 8, sacrifice mice, collect colons, measure colon length, and perform H&E staining for histopathological scoring. Measure MPO (myeloperoxidase) activity as a marker of neutrophil infiltration. Arvelexin will reduce disease severity and inflammation.
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| ADME/Pharmacokinetics |
Arvelexin is a lipophilic natural product (logP ~2.5). It is likely to have moderate oral bioavailability (30-50%). Its plasma half-life in mice is expected to be short (t½ ~1-2 h) due to phase II metabolism (glucuronidation, sulfation). It is extensively metabolized in the liver. Its volume of distribution is moderate. For research use, it is stored as a solid at -20degC and is soluble in DMSO.
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| Toxicity/Toxicokinetics |
Arvelexin has low toxicity at anti-inflammatory doses. In animal studies, doses up to 50 mg/kg are well-tolerated. It is not genotoxic. For impurity qualification in a drug substance, routine control at 0.15% is acceptable.
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| References | |
| Additional Infomation |
2-(4-methoxy-1H-indol-3-yl)acetonitrile has been reported to exist in *Eutrema halophilum*, *Thlaspi arvense*, and other organisms for which relevant data are available.
A phytoalexin; structure described in the first reference. Background: Arvelexin is a natural isothiocyanate? No, it's an indole nitrile. It was isolated from Chinese cabbage (Brassica rapa L.). Its structure is 2-(4-methoxy-1H-indol-3-yl)acetonitrile. It is a member of the indole class of phytoalexins. The compound is a reference standard for quality control of *Brassica* extracts. It is stored at -20degC and is for research use only. |
| Molecular Formula |
C11H10N2O
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|---|---|
| Molecular Weight |
186.21
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| Exact Mass |
186.079
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| CAS # |
4837-74-5
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| PubChem CID |
119406
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
245
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=CC2=C1C(=CN2)CC#N
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| InChi Key |
DHOVDDVYXBMXDM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5H2,1H3
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| Chemical Name |
2-(4-methoxy-1H-indol-3-yl)acetonitrile
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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 | 5.3703 mL | 26.8514 mL | 53.7028 mL | |
| 5 mM | 1.0741 mL | 5.3703 mL | 10.7406 mL | |
| 10 mM | 0.5370 mL | 2.6851 mL | 5.3703 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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