TC-G 1004Potent and selective A2A antagonist CAS# 1061747-72-5 |
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Quality Control & MSDS
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Chemical structure
3D structure
| Cas No. | 1061747-72-5 | SDF | Download SDF |
| PubChem ID | 25074316 | Appearance | Powder |
| Formula | C22H27N7O2 | M.Wt | 421.5 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in 1eq. HCl and to 100 mM in DMSO | ||
| Chemical Name | N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide | ||
| SMILES | CC1=CC(=NN1C2=NC(=CC(=N2)NC(=O)C)C3=NC(=CC=C3)N4CCC(CC4)OC)C | ||
| Standard InChIKey | JENSDTKXNVHSSN-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Potent antagonist of adenosine A2A receptors; displays >100-fold selectivity for A2A over A1 receptors (Ki values are 0.44 and 85 nM respectively). Potentiates L-DOPA-induced rotational behavior in 6-OHDA-lesioned rats. |
TC-G 1004 Dilution Calculator
TC-G 1004 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.3725 mL | 11.8624 mL | 23.7248 mL | 47.4496 mL | 59.312 mL |
| 5 mM | 0.4745 mL | 2.3725 mL | 4.745 mL | 9.4899 mL | 11.8624 mL |
| 10 mM | 0.2372 mL | 1.1862 mL | 2.3725 mL | 4.745 mL | 5.9312 mL |
| 50 mM | 0.0474 mL | 0.2372 mL | 0.4745 mL | 0.949 mL | 1.1862 mL |
| 100 mM | 0.0237 mL | 0.1186 mL | 0.2372 mL | 0.4745 mL | 0.5931 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease.[Pubmed:18947224]
J Med Chem. 2008 Nov 27;51(22):7099-110.
4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-pyrimidines bearing substituted pyridyl groups as C-6 substituents were prepared as selective adenosine hA2A receptor antagonists for the treatment of Parkinson's disease. The 5-methoxy-3-pyridyl derivative 6g (hA2A Ki 2.3 nM, hA1 Ki 190 nM) was orally active at 3 mg/kg in a rat HIC model but exposure was poor in nonrodent species, presumably due to poor aqueous solubility. Follow-on compound 16a (hA2A Ki 0.83 nM, hA1 Ki 130 nM), bearing a 6-(morpholin-4-yl)-2-pyridyl substituent at C-6, had improved solubility and was orally efficacious (3 mg/kg, HIC) but showed time-dependent cytochrome P450 3A4 inhibition, possibly related to morpholine ring metabolism. Compound 16j (hA2A Ki 0.44 nM, hA1 Ki 80 nM), bearing a 6-(4-methoxypiperidin-1-yl)-2-pyridyl substituent at C-6, was sparingly soluble but had good oral exposure in rodent and nonrodent species, had no cytochrome P450 or human ether-a-go-go related gene channel issues, and was orally efficacious at 1 mg/kg in HIC and at 3 mg/kg for potentiation of l-dopa-induced contralateral rotations in 6-hydroxydopamine-lesioned rats.
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