| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
TRPA1 0.04 μM (IC50)
TRPA1-IN-2 targets the transient receptor potential ankyrin 1 (TRPA1) channel as a potent and orally active inhibitor with an IC50 of 0.04 μM. TRPA1 is a non-selective cation channel involved in pain sensation, inflammation, and sensory perception. By inhibiting TRPA1, the compound blocks inflammatory pain pathways and exhibits anti-inflammatory activity. The compound's potent activity (IC50 = 0.04 μM) makes it a valuable tool for studying TRPA1-mediated mechanisms. Its oral activity facilitates in vivo studies of TRPA1 function. |
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| ln Vitro |
In vitro studies demonstrate that TRPA1-IN-2 (compound 1) is a potent TRPA1 inhibitor with an IC50 value of 0.04 μM. The compound shows anti-inflammatory activity. It is a valuable research tool for studying TRPA1-mediated pain pathways and inflammatory diseases. The compound's potent inhibitory activity makes it useful for characterizing TRPA1 function in various cell-based assays. Detailed in vitro characterization data are available in the primary literature. The compound's IC50 of 0.04 μM indicates high potency against TRPA1.
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| ln Vivo |
Anti-inflammatory action is demonstrated by TRPA1-IN-2 (90 mg/kg; i.p. in mice; 30 mg/kg i.p. in rats; 100 mg/kg; orally)[1].
In vivo studies show that TRPA1-IN-2 is orally active and exhibits anti-inflammatory activity. As a potent TRPA1 inhibitor with oral bioavailability, the compound is suitable for in vivo investigations of pain and inflammatory diseases. TRPA1 inhibitors have been shown to reduce pain responses and inflammation in various animal models. TRPA1-IN-2's oral activity facilitates dosing in preclinical studies. Specific in vivo efficacy data and animal model studies are available in the primary literature. Further research is ongoing to establish its full therapeutic potential. |
| Enzyme Assay |
For TRPA1 channel binding and functional assays, cells expressing TRPA1 channels (e.g., HEK293 cells) are cultured and loaded with calcium-sensitive fluorescent dyes. TRPA1-IN-2 is dissolved in DMSO and diluted in assay buffer to varying concentrations. Cells are treated with the compound and TRPA1 activation is induced by appropriate agonists (e.g., allyl isothiocyanate, cinnamaldehyde, or hydrogen peroxide). Calcium flux is measured using fluorescence plate readers. IC50 values are calculated from dose-response curves by measuring the reduction in agonist-induced calcium increases. Assays are performed in replicate with vehicle controls and positive controls (e.g., known TRPA1 antagonists). IC50 = 0.04 μM.
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| Cell Assay |
For in vitro cellular assays, cells expressing TRPA1 channels (e.g., HEK293 cells or primary sensory neurons) are cultured in appropriate media under standard conditions (37°C, 5% CO2). TRPA1-IN-2 is dissolved in DMSO and diluted in culture medium to desired concentrations (typically nM range). Cells are treated with compound for specified durations. TRPA1 channel activity is assessed by measuring intracellular calcium flux using fluorescent indicators upon agonist stimulation. Anti-inflammatory activity can be assessed by measuring inflammatory cytokine production in activated immune cells. Cell viability and cytotoxicity can also be assessed. Each concentration is tested in replicate wells with vehicle controls.
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| Animal Protocol |
Animal/Disease Models: 16-18 g, female BABL/c mice[1]
Doses: 90 mg/kg Route of Administration: Ip; for 7 days Experimental Results: decreased the total number of white blood cells and eosinophils in BALF. Animal/Disease Models: 160-180 g, SD male rats (asthmatic rats)[1] Doses: 30 mg/kg Route of Administration: Ip; for 7 days Experimental Results: Dramatically Sexually decreased lung inflammation area and airway inflammation score in asthmatic rats. For in vivo animal studies, TRPA1-IN-2 is typically formulated in suitable vehicles and administered orally (by gavage) due to its oral activity. Dosing regimens vary by study objective. For pain models, animals are treated with compound prior to nociceptive testing (e.g., formalin test, von Frey test, or inflammatory pain models). For anti-inflammatory studies, animals are subjected to inflammatory stimuli and inflammatory markers are measured. Blood samples may be collected for pharmacokinetic analysis. All procedures follow institutional animal care and use committee guidelines. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of TRPA1-IN-2 indicate it is orally active. The compound has a molecular weight of 442.48, formula C24H25F3N4O, and CAS number 2415206-22-1. Solubility: DMSO 100 mg/mL (226.00 mM) with sonication recommended. Storage: typically at -20°C for powder; in solvent at -80°C. The compound is a potent inhibitor with IC50 of 0.04 μM. Specific pharmacokinetic parameters such as half-life, clearance, and bioavailability are reported in the primary literature.
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| Toxicity/Toxicokinetics |
According to available safety information, TRPA1-IN-2 is intended for research use only and not for human therapeutic applications. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment (gloves, lab coat, safety goggles). The compound should be handled in a well-ventilated area. Avoid dust formation and inhalation. In case of skin contact, wash with plenty of soap and water. In case of eye contact, rinse cautiously with water for several minutes. No clinical toxicity data are available.
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| References | |
| Additional Infomation |
TRPA1-IN-2 is a potent and orally active TRPA1 inhibitor with an IC50 of 0.04 μM. It exhibits significant anti-inflammatory properties and is a valuable research tool for studying pain pathways and inflammatory diseases. The compound has the molecular weight 442.48 and formula C24H25F3N4O. It is for research use only with no clinical development or regulatory approvals reported.
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| Molecular Formula |
C24H25F3N4O
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|---|---|
| Molecular Weight |
442.476715803146
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| Exact Mass |
442.198
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| CAS # |
2415206-22-1
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| PubChem CID |
155367197
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| Appearance |
White to off-white solid powder
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| LogP |
4.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
688
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC(C1)(C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F)NC4=CC=C(C=C4)C#N
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| InChi Key |
QBMIXUICHJFOFY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H25F3N4O/c25-24(26,27)19-5-9-21(10-6-19)30-13-15-31(16-14-30)22(32)23(11-1-2-12-23)29-20-7-3-18(17-28)4-8-20/h3-10,29H,1-2,11-16H2
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| Chemical Name |
4-[[1-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile
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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 | 2.2600 mL | 11.2999 mL | 22.5999 mL | |
| 5 mM | 0.4520 mL | 2.2600 mL | 4.5200 mL | |
| 10 mM | 0.2260 mL | 1.1300 mL | 2.2600 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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