| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
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| 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]
|
|---|---|
| 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].
|
| 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].
|
| 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. |
| References |
[1].
|
| 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
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
19
|
| 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
|
| 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
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (360.67 mM)
|
|---|---|
| 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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