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Purity: ≥98%
RO-3 is potent, selective, orally active and brain penetrant antagonist of homomeric P2X3 and heteromeric P2X2/3 receptor with pIC50 values are 7.0 and 5.9 respectively. It exhibits no activity at P2X1, P2X2, P2X4, P2X5 and P2X7 receptors (IC50 > 10 μM). It attenuates nociceptive sensitivity in animal models of pain. Evidence from a variety of experimental strategies, including genetic disruption studies and the development of selective antagonists, has indicated that the activation of P2X receptor subtypes, including P2X(3), P2X(2/3), P2X(4) and P2X(7), and P2Y (e.g., P2Y(2)) receptors, can modulate pain
| ln Vivo |
In mouse vesicopelvic nerve preparations and guinea pig ureteral afferent nerve preparations, RO-3 dose-dependently decreases afferent nerve activity induced by dilatation or α,β-meATP [1]. RO-3 is active in a number of rodent pain models and in a cystometry model that is tailored to measure different aspects of sensory modulation of the micturition reflex [1]. Rat and human hepatocytes and liver microsomes demonstrate moderate to high metabolic stability for RO-3, which is also characterized by high permeability, oral bioavailability of 14%, and a reasonable in vivo plasma half-life in rats (t1/2=0.41 h) [1].
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| References |
| Molecular Formula |
C16H22N4O2
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| Molecular Weight |
302.38
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| Exact Mass |
302.174
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| Elemental Analysis |
C, 63.55; H, 7.33; N, 18.53; O, 10.58
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| CAS # |
1026582-88-6
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| Related CAS # |
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| PubChem CID |
11289644
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| Appearance |
Yellow to orange solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
516.3±60.0 °C at 760 mmHg
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| Flash Point |
266.1±32.9 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.596
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| LogP |
2.43
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
22
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| Complexity |
342
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC(C(C)C)=C(CC2=CN=C(N)N=C2N)C=C1OC
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| InChi Key |
PYNPWUIBJMVRIG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H22N4O2/c1-9(2)12-7-14(22-4)13(21-3)6-10(12)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
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| Chemical Name |
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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: ≥ 2.08 mg/mL (6.88 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 20.8 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: ≥ 2.08 mg/mL (6.88 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 20.8 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 | 3.3071 mL | 16.5355 mL | 33.0710 mL | |
| 5 mM | 0.6614 mL | 3.3071 mL | 6.6142 mL | |
| 10 mM | 0.3307 mL | 1.6535 mL | 3.3071 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.
Structure andin vitropharmacological properties of RO-3, a selective P2X3and P2X2/3antagonist.Br J Pharmacol.2006 Feb;147 Suppl 2:S132-43. |
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Schematic diagrams showing the roles of ATP and P2X receptors in the micturition pathway. |
Schematic diagram of the neural circuits controlling continence and micturition.Br J Pharmacol.2006 Feb;147 Suppl 2:S132-43. |
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