| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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Purity: ≥98%
HC-030031 (also known as TOSLAB 829227) is a novel, potent and selective blocker/antagonist/inhibitor of TRPA1 (transient receptor potential ankyrin 1) channel. It antagonizes AITC (allyl isothiocyanate)- and formalin-evoked calcium influx with IC50 of 6.2 μM and 5.3 μM respectively. As an inhibitor of TRPA1, HC-030031 can be used as a tool to study the role of TRPA1 channel in pain perception. In the FLIPR calcium-influx assay, HC-030031 blocks cinnamaldehyde- and AITC- induced activation of TRPA1 with IC50 values of 4.9μM and 7.5μM, respectively. HC-030031 is selective against TRPA1. It shows no significant inhibitory activity against many other enzymes, receptors and transporters. It also has no effect on the activation of TRPV1, TRPV3 and TRPV4.
| ln Vitro |
Irreversible agonists (like N-methylmaleimide) or reversible agonists (like AITC) can both cause blockade of TRPA1 currents, and HC-030031 reversibly blocks them with potencies of equal magnitude. N-methylmaleimide activates TRPA1, and HC-030031 prevents this from happening. This modification of the cysteine opens the channel irreversibly. TRPV1, TRPV3, TRPV4, hERG, and NaV1.2 channel-mediated currents are not blocked by HC-030031 [1]. For TRPA1 activation induced by cinnamaldehyde or allyl isothiocyanate (AITC or mustard oil), the potency of HC-030031 was 4.9 and 7.5 μM (IC50), respectively. The IC50 of 6.2 μM for the AITC activation of TRPA1 reported earlier is comparable to these results. In the FLIPR calcium influx assay, which employs HEK-293 cells that stable express human TRPA1, the capacity of HC-030031 to inhibit TRPA1 activation was examined. Before adding EC60 concentrations of either AITC or cinnamonaldehyde, HC-030031 at concentrations ranging from 0.3 to 60 μM was incubated with cells for 10 minutes. In a dose-dependent manner, HC-030031 inhibits the calcium influx induced by both cinnamonaldehyde and AITC, with IC50 values of 4.9 and 7.5 μM, respectively [2].
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| ln Vivo |
After injecting 10% AITC (50 μL) into the hind paws of rats, HC-030031 (300 mg/kg) significantly decreased the amount of flinching within the first five minutes. For the remainder of the hour, HC-030031 decreased the frequency of withdrawals, which was similar to the effect seen in withdrawals induced by formalin [1]. At 100 mg/kg, oral HC-030031 administration decreased AITC-induced nociceptive behavior in rats. Additionally, in a more chronic model of complete Freund's adjuvant (CFA)-induced inflammatory pain as well as in a spinal nerve ligation model of neuropathic pain, oral administration of HC-030031 (100 mg/kg) significantly reversed mechanical hypersensitivity. One hour following oral administration, HC-030031 dramatically reduced the elevation's duration (p<0.001)[2]. Inflamed mice that receive HC-030031 fully recover from enhanced mechanical discharge [3].
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| References |
| Molecular Formula |
C18H21N5O3
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| Molecular Weight |
355.39
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| Exact Mass |
355.164
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| CAS # |
349085-38-7
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| Related CAS # |
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| PubChem CID |
1150897
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.652
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| LogP |
2.21
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
573
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
HEQDZPHDVAOBLN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)
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| Chemical Name |
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.03 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.03 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. View More
Solubility in Formulation 3: 0.5% methylcellulose: 30 mg/mL Solubility in Formulation 4: 20 mg/mL (56.28 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), suspension solution; Need ultrasonic and warming and heat to 40°C. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8138 mL | 14.0691 mL | 28.1381 mL | |
| 5 mM | 0.5628 mL | 2.8138 mL | 5.6276 mL | |
| 10 mM | 0.2814 mL | 1.4069 mL | 2.8138 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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