DR 4485 hydrochlorideHigh affinity and selective 5-HT7 antagonist; orally bioavailable CAS# 402942-53-4 |
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Quality Control & MSDS
3D structure
Package In Stock
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| Cas No. | 402942-53-4 | SDF | Download SDF |
| PubChem ID | 90488996 | Appearance | Powder |
| Formula | C26H29Cl3N2O | M.Wt | 491.88 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in DMSO | ||
| Chemical Name | 6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one;hydrochloride | ||
| SMILES | C1CC2=C(C=CC3=C2C(C1)(C(=O)N3)CCCCN4CCC(=CC4)C5=CC=C(C=C5)Cl)Cl.Cl | ||
| Standard InChIKey | QAERYGXKDZHTFR-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C26H28Cl2N2O.ClH/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31;/h5-11H,1-4,12-17H2,(H,29,31);1H | ||
| 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 | High affinity and selective 5-HT7 antagonist (pKi = 8.14). Exhibits selectivity for 5-HT7 over other 5-HT receptors. Inhibits 5-HT-induced cAMP accumulation in HEK-293 cells expressing the 5-HT7 receptor. Orally bioavailable. |
DR 4485 hydrochloride Dilution Calculator
DR 4485 hydrochloride Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.033 mL | 10.1651 mL | 20.3302 mL | 40.6603 mL | 50.8254 mL |
| 5 mM | 0.4066 mL | 2.033 mL | 4.066 mL | 8.1321 mL | 10.1651 mL |
| 10 mM | 0.2033 mL | 1.0165 mL | 2.033 mL | 4.066 mL | 5.0825 mL |
| 50 mM | 0.0407 mL | 0.2033 mL | 0.4066 mL | 0.8132 mL | 1.0165 mL |
| 100 mM | 0.0203 mL | 0.1017 mL | 0.2033 mL | 0.4066 mL | 0.5083 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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Synthesis of new serotonin 5-HT7 receptor ligands. Determinants of 5-HT7/5-HT1A receptor selectivity.[Pubmed:19326916]
J Med Chem. 2009 Apr 23;52(8):2384-92.
We report the synthesis of a new set of compounds of general structure I (1-20) with structural modifications in the pharmacophoric elements of the previously reported lead UCM-5600. The new derivatives have been evaluated for binding affinity at 5-HT(7) and 5-HT(1A) receptors. The influence of the different structural features in terms of 5-HT(7)/5-HT(1A) receptor affinity and selectivity was analyzed by computational simulations of the complexes between compounds I and beta(2)-based 3-D models of these receptors. Compound 18 (HYD(1) = 1,3-dihydro-2H-indol-2-one; spacer = -(CH(2))(4)-; HYD(2) + HYD(3) = 3,4-dihydroisoquinolin-2(1H)-yl) exhibits high 5-HT(7)R affinity (K(i) = 7 nM) and selectivity over the 5-HT(1A)R (31-fold), and has been characterized as a partial agonist of the human 5-HT(7)R.
New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability.[Pubmed:12467617]
Bioorg Med Chem Lett. 2003 Jan 6;13(1):61-4.
Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stability. Compound 10 (DR4485) showed oral bioavailability, and should be a useful tool for evaluating the therapeutic potential of 5-HT(7) antagonists.
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