| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
IC50: 16 nM (hTRPA1 FLIPR), 82 nM (hTRPA1 Ephys), 63 nM (rTRPA1 FLIPR), 35 nM (rDRG Ephys), 73 nM (mTRPA1), 68 nM (gpTRPA1), 81 nM (dogTRPA1)m, 19 nM (monkeyTRPA1)[1]
TRPA1 (Transient Receptor Potential Ankyrin 1) ion channel. BAY-390 is a selective TRPA1 antagonist that effectively penetrates the blood-brain barrier, allowing it to target TRPA1 channels both peripherally and centrally. |
|---|---|
| ln Vitro |
hTRPA1 FLIPR, hTRPA1 Ephys, rTRPA1 FLIPR, and rDRG Ephys are all inhibited by BAY-390, with IC50 values of 16, 82, 63, and 35 nM, respectively[1]. The inhibitory concentrations of BAY-390 are 73, 68, 81, and 19 nM for mTRPA1, gpTRPA1, dogTRPA1, and monkeyTRPA1, respectively[1].
BAY-390 inhibits human TRPA1 (FLIPR assay) with an IC50 of 16 nM, rat TRPA1 (FLIPR) with an IC50 of 63 nM, human TRPA1 (electrophysiology) with an IC50 of 82 nM, and rat DRG electrophysiology with an IC50 of 35 nM. It exhibits potent and selective inhibition across species. |
| ln Vivo |
Neuropathic pain is affected in vivo by BAY-390 (30 and 90 mg/kg; po; BID for 10 days)[1]. In rat models of cystitis produced by cyclophosphamide, BAY-390 decreases visceral pain[1]. In models of neurogenic inflammation and inflammatory pain, BAY-390 is effective[1].
BAY-390 has been shown to reverse inflammation-induced mechanical hyperalgesia in rat models of inflammatory pain following both peripheral and central administration. Brain penetration enables targeting of central TRPA1 channels involved in pain processing. It can be used for inflammatory research. |
| Enzyme Assay |
CHO-K1 cells stably expressing human or rat TRPA1 are seeded and loaded with a calcium-sensitive fluorescent dye. Increasing concentrations of BAY-390 are added, followed by a submaximal concentration of a TRPA1 agonist. Fluorescence is read in a FLIPR. IC50 is calculated as the concentration required to inhibit the agonist-induced calcium signal by 50% using nonlinear regression. For electrophysiology, whole-cell patch-clamp is used.
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| Cell Assay |
CHO-K1 cells or primary rat dorsal root ganglion neurons expressing TRPA1 are used for patch-clamp electrophysiology. Cells are voltage-clamped at a holding potential, and currents are evoked by TRPA1 agonists. BAY-390 is bath-applied at varying concentrations to determine IC50 values. For FLIPR, cells are loaded with calcium indicator dye and agonist-induced fluorescence is measured in a plate reader.
|
| Animal Protocol |
Animal/Disease Models: Nrodent animals with neuropathic pain[1]
Doses: 30 and 90 mg/kg Route of Administration: Oral gavage; 30 and 90 mg/kg; twice (two times) daily for 10 days Experimental Results: Effectively decreased the neuropathic pain in rodent neuropathic pain model. For pain studies, male Sprague-Dawley rats are injected with complete Freund‘s adjuvant (CFA) or carrageenan into the hind paw to induce inflammatory pain. BAY-390 is administered intraperitoneally (1-30 mg/kg) or intrathecally (central administration) 30 minutes prior to testing. Mechanical hyperalgesia is assessed using von Frey filaments. Spontaneous pain behaviors (guarding, flinching) are also quantified. Brain and plasma levels are measured by LC-MS/MS. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of BAY-390 have not been fully published. It is described as brain-penetrating, indicating suitable CNS exposure. As a small molecule, it likely has moderate to high oral bioavailability. Further PK parameters (t1/2, clearance, volume of distribution) remain to be characterized. Solubility: DMSO: 100 mg/mL (205.11 mM). Recommended for in vivo formulation using vehicles such as PEG400, Tween 80, saline, or PBS.
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| Toxicity/Toxicokinetics |
Specific toxicity data for BAY-390 are not reported. As a selective TRPA1 antagonist with brain-penetrating properties, typical safety assessments would include hERG channel inhibition (cardiotoxicity), cytochrome P450 inhibition (DDI potential), and CNS safety pharmacology (motor coordination, seizure threshold, respiratory depression). No published in vivo toxicity data.
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| References |
[1].
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| Additional Infomation |
Other information: BAY-390 is a research tool compound and not an approved drug. It is valuable for dissecting the role of TRPA1 channels in pain, inflammation, and itch, particularly regarding central TRPA1 mechanisms. It may also be used in cough, asthma, and gastrointestinal inflammation models. Potency and selectivity make it a superior tool compared to earlier TRPA1 antagonists.
|
| Molecular Formula |
C13H15F4NO
|
|---|---|
| Molecular Weight |
277.26
|
| Exact Mass |
277.108
|
| CAS # |
2741956-55-6
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| PubChem CID |
155539293
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| Appearance |
Yellow to brown ointment
|
| LogP |
3.6
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
19
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| Complexity |
302
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C1CC[C@@]([C@@H](C1)NC2=CC=C(C=C2)F)(C(F)(F)F)O
|
| InChi Key |
IESAJAZKMLPVIB-VXGBXAGGSA-N
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| InChi Code |
InChI=1S/C13H15F4NO/c14-9-4-6-10(7-5-9)18-11-3-1-2-8-12(11,19)13(15,16)17/h4-7,11,18-19H,1-3,8H2/t11-,12-/m1/s1
|
| Chemical Name |
(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
DMSO: 100 mg/mL (360.67 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.02 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.02 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6067 mL | 18.0336 mL | 36.0672 mL | |
| 5 mM | 0.7213 mL | 3.6067 mL | 7.2134 mL | |
| 10 mM | 0.3607 mL | 1.8034 mL | 3.6067 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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