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A-967079

Alias: A-967079A967079A 967079
Cat No.:V6545 Purity: ≥98%
A-967079 is a novel, potent, CNS-penetrant and selective blocker/antagonist TRPA1 channel (IC50s of 67 nM and 289 nM at human and rat TRPA1 receptors), with analgesic and antiinflammatory effects and is used in scientific research, but has not been developed for medical use.
A-967079
A-967079 Chemical Structure CAS No.: 1170613-55-4
Product category: TRP Channel
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
25mg
50mg
100mg
250mg
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Product Description

A-967079 is a novel, potent, CNS-penetrant and selective blocker/antagonist TRPA1 channel (IC50s of 67 nM and 289 nM at human and rat TRPA1 receptors), with analgesic and antiinflammatory effects and is used in scientific research, but has not been developed for medical use.

Biological Activity I Assay Protocols (From Reference)
ln Vivo
In Freund's adjuvant (CFA) neuronal response, systemic injection of A-967079 (30 μMol/kg, i.v.) lowers nociceptive jumping (NS) and wide dynamic range (WDR) following painful crushing of the undamaged and inflamed ipsilateral hind paw. A-967079 (30 μMol/kg, i.v.) administration in CFA-inflamed WT significantly decreased the response to destructive simulated stimulation of WDR neurons compared with baseline derivation (p=0.0013, repeated-measures seismic analysis), Kazakhstan (p=0.0001, coronary artery analysis), and other WT. This effect was similar to that seen in uninjured WT. Thirty-five minutes after injection, the highest ratio bearing level influence on inflammatory simulated-evoked activity was seen. Additionally noteworthy when compared to unimpaired correlations (repeated measures and limb coronal analyses, respectively) were injections of A-967079 into the CFA that were connected to inflammation. reduced WDR neurons' responsiveness to 10-g von Frey stimulation (p=0.0004 and p=0.0001). Thus, at the axial level (35 minutes after injection), the maximum observed reduction in von Frey-evoked activity was 67.69 ± 18.39%, which is similar to the effect of A-967079 on inflammatory stimulus-evoked activity [1].
References

[1]. TRPA1 modulation of spontaneous and mechanically evoked firing of spinal neurons in uninjured, osteoarthritic, and inflamed rats. Mol Pain. 2010 Mar 5;6:14.

Additional Infomation
See also: A-967079 (annotation moved to).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Exact Mass
207.105
CAS #
1170613-55-4
Related CAS #
1170613-55-4
PubChem CID
60150207
Appearance
White to off-white solid powder
Density
1.0±0.1 g/cm3
Boiling Point
324.4±34.0 °C at 760 mmHg
Flash Point
150.0±25.7 °C
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.498
LogP
3.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Heavy Atom Count
15
Complexity
252
Defined Atom Stereocenter Count
0
SMILES
FC1C([H])=C([H])C(=C([H])C=1[H])/C(/[H])=C(/C([H])([H])[H])\C(\C([H])([H])C([H])([H])[H])=N\O[H]
InChi Key
HKROEBDHHKMNBZ-CHBKHGQFSA-N
InChi Code
InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
Chemical Name
(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
Synonyms
A-967079A967079A 967079
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

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~482.53 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.06 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 (12.06 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.
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Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT05249387 COMPLETED Drug: A-967079 and BAM8-22 application
Drug: A-967079 and BAM8-22 application after 5 minutes.
Drug: A-967079 application.
Drug: Vehicle and BAM8-22 application.
Itch Aalborg University 2022-02-11 Not Applicable
NCT05935280 COMPLETED Other: Room temperature
Other: Cold temperature
Drug: Lidocain
Pain Medical University of Vienna 2023-07-07 Early Phase 1
Biological Data
  • In uninjured rats, (A) systemic administration of A-967079 (30 μmol/kg, i.v.) reduced WDR responses to noxious pinch (28 mm mini bulldog clamp for 10 sec), but not to 10-g von Frey stimulation (n = 5-7 per group) of the RF on the hind paw. (B) Spontaneous firing of WDR neurons was unaltered by A-967079 injection to uninjured rats (n = 7-12 per group). Representative ratemeters showing the responses of a single WDR neuron to; (C) 10-g von Frey hair stimulation (15 sec), and (D) a noxious pinch (28 mm mini bulldog clamp for 10 sec) both before and after injection of A-967079 (30 μmol/kg, i.v.) to uninjured rats. VF = 10-g von Frey hair stimulation, P = noxious pinch (mini bulldog clamp). Since vehicle did not alter WDR firing in animals receiving either a von Frey (n = 5) or pinch stimulus (n = 2), this data was combined for comparison. *p < 0.05, vs. baseline firing; +p < 0.05 vs. vehicle-treated group (Fisher's LSD).[1].McGaraughty S, et al. TRPA1 modulation of spontaneous and mechanically evoked firing of spinal neurons in uninjured, osteoarthritic, and inflamed rats. Mol Pain. 2010 Mar 5;6:14
  • In CFA-inflamed rats, systemic administration of A-967079 (30 μmol/kg, i.v.) reduced (A) WDR responses to noxious pinch (28 mm mini bulldog clamp for 10 sec), and 10-g von Frey stimulation (n = 6 per group) of the RF on the hind paw. (B) Injection of A-967079 (30 μmol/kg, i.v.) also decreased the spontaneous firing of WDR neurons in CFA-inflamed rats (n = 6-12 per group). Since vehicle did not alter WDR firing in animals that received either a von Frey (n = 4) or pinch stimulus (n = 2), this data was combined for comparison. *p < 0.05, **p < 0.01 vs. baseline firing; ++p < 0.01 vs. vehicle-treated group (Fisher's LSD).[1].McGaraughty S, et al. TRPA1 modulation of spontaneous and mechanically evoked firing of spinal neurons in uninjured, osteoarthritic, and inflamed rats. Mol Pain. 2010 Mar 5;6:14
  • Effects of A-967079 (30 μmol/kg, i.v.) on single WDR neurons recorded from CFA-inflamed rats. Both evoked and spontaneous firing was attenuated by injection of A-967079. VF = 10-g von Frey hair stimulation, char = characterization period, T = non-noxious tap, B = non-noxious brush, P = noxious pinch (mini bulldog clamp). The neuronal RF on the hind paw was stimulated.[1].McGaraughty S, et al. TRPA1 modulation of spontaneous and mechanically evoked firing of spinal neurons in uninjured, osteoarthritic, and inflamed rats. Mol Pain. 2010 Mar 5;6:14
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