TC-G 1006Potent and selective sphingosine-1-phosphate receptor 1 (S1P1) agonist CAS# 1324003-64-6 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 1324003-64-6 | SDF | Download SDF |
| PubChem ID | 54764919 | Appearance | Powder |
| Formula | C21H16F3N3O3 | M.Wt | 415.37 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | DMSO : 62.5 mg/mL (150.47 mM; Need ultrasonic) | ||
| Chemical Name | 4-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide | ||
| SMILES | COC1=C(C=NC=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)C3=CC=CC=C3)C(F)(F)F | ||
| Standard InChIKey | MLDQTQOMWDNTNN-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29) | ||
| 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 and selective sphingosine-1-phosphate receptor 1 (S1P1) agonist (EC50 = 35 nM), displays >100-fold selectivity against receptor subtypes S1P2-5. Induces a dose-dependent reduction in circulating blood lymphocyte counts in rodent models. Orally bioavailable. |
TC-G 1006 Dilution Calculator
TC-G 1006 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.4075 mL | 12.0375 mL | 24.0749 mL | 48.1498 mL | 60.1873 mL |
| 5 mM | 0.4815 mL | 2.4075 mL | 4.815 mL | 9.63 mL | 12.0375 mL |
| 10 mM | 0.2407 mL | 1.2037 mL | 2.4075 mL | 4.815 mL | 6.0187 mL |
| 50 mM | 0.0481 mL | 0.2407 mL | 0.4815 mL | 0.963 mL | 1.2037 mL |
| 100 mM | 0.0241 mL | 0.1204 mL | 0.2407 mL | 0.4815 mL | 0.6019 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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S1P1 Agonist III is a potent and orally active S1P1 agonist with EC50 of 18 nM; no activity on S1P3. IC50 value: 18 nM(EC50) [1] Target: S1P1 agonist When dosed orally at 1 and 3 mg/kg, the azahydroxymethyl analogue 22(HY-12835) achieved statistically significant lowering of circulating blood lymphocytes 24 h postdose. In rats, a dose-proportional increase in exposure was measured when 22(HY-12835) was dosed orally at 2 and 100 mg/kg. 22 displayed excellent pharmacokinetic parameters with low clearance (CL = 0.11 L/h/kg), long mean residence time (40 h), and good oral bioavailability (F = 67%).
References:
[1]. Harrington PE, et al. Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core. ACS Med Chem Lett. 2011 Nov 23;3(1):74-8.
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4-Methoxy-N-[2-(trifluoromethyl)biphenyl-4-ylcarbamoyl]nicotinamide: A Potent and Selective Agonist of S1P1.[Pubmed:24900263]
ACS Med Chem Lett. 2011 Jul 29;2(10):752-7.
The sphingosine-1-phosphate-1 receptor (S1P1) and its endogenous ligand sphingosine-1-phosphate (S1P) cooperatively regulate lymphocyte trafficking from the lymphatic system. Herein, we disclose 4-methoxy-N-[2-(trifluoromethyl)biphenyl-4-ylcarbamoyl]nicotinamide (8), an uncommon example of a synthetic S1P1 agonist lacking a polar headgroup, which is shown to effect dramatic reduction of circulating lymphocytes (POC = -78%) in rat 24 h after a single oral dose (1 mg/kg). The excellent potency that 8 exhibits toward S1P1 (EC50 = 0.035 muM, 96% efficacy) and the >100-fold selectivity that it displays against receptor subtypes S1P2-5 suggest that it may serve as a valuable tool to understand the clinical relevance of selective S1P1 agonism.
