(±)-AC 7954 hydrochlorideNon-peptide UT receptor agonist CAS# 477313-09-0 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 477313-09-0 | SDF | Download SDF |
| PubChem ID | 9907171 | Appearance | Powder |
| Formula | C19H21Cl2NO2 | M.Wt | 366.28 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 75 mM in water and to 75 mM in DMSO | ||
| Chemical Name | 3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4H-isochromen-1-one;hydrochloride | ||
| SMILES | CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.Cl | ||
| Standard InChIKey | AJPGLOWFIBOGMH-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C19H20ClNO2.ClH/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19;/h3-10H,11-13H2,1-2H3;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 | Highly selective, non-peptide urotensin-II (UT) receptor agonist that displays potent activity at human and rat UT receptors (pEC50 values are 6.5 and 6.7 respectively). |
(±)-AC 7954 hydrochloride Dilution Calculator
(±)-AC 7954 hydrochloride Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.7302 mL | 13.6508 mL | 27.3015 mL | 54.603 mL | 68.2538 mL |
| 5 mM | 0.546 mL | 2.7302 mL | 5.4603 mL | 10.9206 mL | 13.6508 mL |
| 10 mM | 0.273 mL | 1.3651 mL | 2.7302 mL | 5.4603 mL | 6.8254 mL |
| 50 mM | 0.0546 mL | 0.273 mL | 0.546 mL | 1.0921 mL | 1.3651 mL |
| 100 mM | 0.0273 mL | 0.1365 mL | 0.273 mL | 0.546 mL | 0.6825 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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Novel potent and efficacious nonpeptidic urotensin II receptor agonists.[Pubmed:16570919]
J Med Chem. 2006 Apr 6;49(7):2232-40.
Six different series of nonpeptidic urotensin II receptor agonists have been synthesized and evaluated for their agonistic activity in a cell-based assay (R-SAT). The compounds are ring-opened analogues of the isochromanone-based agonist AC-7954 with different functionalities constituting the linker between the two aromatic ring moieties. Several of the compounds are highly potent and efficacious, with N-[1-(4-chlorophenyl)-3-(dimethylamino)-propyl]-4-phenylbenzamide oxalate (5d) being the most potent. The pure enantiomers of 5d were obtained from the corresponding diastereomeric amides. It was shown by a combination of X-ray crystallography and chemical correlation that the activity resides in the S-enantiomer of 5d (pEC(50) 7.49).
Architecture of the human urotensin II receptor: comparison of the binding domains of peptide and non-peptide urotensin II agonists.[Pubmed:15801838]
J Med Chem. 2005 Apr 7;48(7):2480-92.
The human urotensin II receptor (h-UTR) is a member of the family of rhodopsin-like G-protein-coupled receptors (GPCRs) involved in the modulation of the functionality of many tissues and organs. Recently the urotensin-II (UII) neuropeptide, which is a potent vasoconstrictor in mammals and it is postulated to play a central role in cardiovascular homeostasis, has been identified as an agonist of the UII receptor. To elucidate the receptor's molecular recognition, a h-UTR model was constructed by homology modeling using the 2.6 A crystal structure of bovine rhodopsin as a template and subsequently refined by molecular dynamics simulations. The molecular recognition of h-UTR was probed by automated docking of P5U, a potent UII peptide agonist, as well as of the non-peptide compounds 1-4. We believe that this new model of the h-UTR provides the means for understanding the ligand's potency and for facilitating the design of novel and more potent UII ligands.
Discovery of the first nonpeptide agonist of the GPR14/urotensin-II receptor: 3-(4-chlorophenyl)-3-(2- (dimethylamino)ethyl)isochroman-1-one (AC-7954).[Pubmed:12408704]
J Med Chem. 2002 Nov 7;45(23):4950-3.
A functional cell-based screen identified 3-(4-chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one hydrochloride (AC-7954, 1) as a nonpeptidic agonist of the urotensin-II receptor. Racemic 1 had an EC50 of 300 nM at the human UII receptor and was highly selective. Testing of the enantiopure (+)- and (-)- 1 revealed that the UII receptor activity of racemic 1 resides primarily in (+)-1. Being a selective nonpeptidic druglike UII receptor agonist, (+)-1 will be useful as a pharmacological research tool and a potential drug lead.
